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1564460-02-1 | 2-[3-(HYDROXYMETHYL)PYRROLIDIN-1-YL]PYRIMIDINE-5-CARBALDEHYDE
CAS No: 1564460-02-1 Catalog No: AG01C8QV MDL No:MFCD26843534
Product Description
Catalog Number:
AG01C8QV
Chemical Name:
2-[3-(HYDROXYMETHYL)PYRROLIDIN-1-YL]PYRIMIDINE-5-CARBALDEHYDE
CAS Number:
1564460-02-1
Molecular Formula:
C10H13N3O2
Molecular Weight:
207.2291
MDL Number:
MFCD26843534
IUPAC Name:
2-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C10H13N3O2/c14-6-8-1-2-13(5-8)10-11-3-9(7-15)4-12-10/h3-4,7-8,14H,1-2,5-6H2
InChI Key:
YZCURUJOUXPHKM-UHFFFAOYSA-N
SMILES:
OCC1CCN(C1)c1ncc(cn1)C=O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.101g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.233g/mol
Monoisotopic Mass:
207.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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