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1306605-54-8 | 4-imino-2-(propan-2-yl)-1,4-dihydropyrimidine-5-carbaldehyde
CAS No: 1306605-54-8 Catalog No: AG01AIGY MDL No:MFCD18839082
Product Description
Catalog Number:
AG01AIGY
Chemical Name:
4-imino-2-(propan-2-yl)-1,4-dihydropyrimidine-5-carbaldehyde
CAS Number:
1306605-54-8
Molecular Formula:
C8H11N3O
Molecular Weight:
165.1924
MDL Number:
MFCD18839082
IUPAC Name:
4-amino-2-propan-2-ylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C8H11N3O/c1-5(2)8-10-3-6(4-12)7(9)11-8/h3-5H,1-2H3,(H2,9,10,11)
InChI Key:
CVGGYGXSJRROCV-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c(nc1=N)C(C)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.196g/mol
Monoisotopic Mass:
165.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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