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1194-78-1 | 2,4,5-Pyrimidinetriamine, 6-chloro-
CAS No: 1194-78-1 Catalog No: AG000IPG MDL No:MFCD11114448
Product Description
Catalog Number:
AG000IPG
Chemical Name:
2,4,5-Pyrimidinetriamine, 6-chloro-
CAS Number:
1194-78-1
Molecular Formula:
C4H6ClN5
Molecular Weight:
159.5769
MDL Number:
MFCD11114448
IUPAC Name:
6-chloropyrimidine-2,4,5-triamine
InChI:
InChI=1S/C4H6ClN5/c5-2-1(6)3(7)10-4(8)9-2/h6H2,(H4,7,8,9,10)
InChI Key:
BMCHNFZLERXZBI-UHFFFAOYSA-N
SMILES:
Nc1nc(N)c(c(n1)Cl)N
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.031g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
159.577g/mol
Monoisotopic Mass:
159.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Synthesis and anti-influenza virus activity of novel pyrimidine derivatives. | Antiviral research 19990601 |
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