N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]pyrimidine-4-carboxamide

C10H13N3O3 — CID 110125140

IUPACN-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1CC[C@@H](O)[C@@H]1O)c1ccncn1
InChIInChI=1S/C10H13N3O3/c14-8-2-1-6(9(8)15)13-10(16)7-3-4-11-5-12-7/h3-6,8-9,14-15H,1-2H2,(H,13,16)/t6-,8-,9-/m1/s1
InChIKeyRERCWLAKZYXASI-FTLITQJKSA-N
MW223.23 g/mol
LogP-0.91
Rot. Bonds2

About N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]pyrimidine-4-carboxamide

N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]pyrimidine-4-carboxamide (PubChem CID 110125140) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]pyrimidine-4-carboxamide
PubChem CID110125140
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC NameN-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1CC[C@@H](O)[C@@H]1O)c1ccncn1
InChIInChI=1S/C10H13N3O3/c14-8-2-1-6(9(8)15)13-10(16)7-3-4-11-5-12-7/h3-6,8-9,14-15H,1-2H2,(H,13,16)/t6-,8-,9-/m1/s1
InChIKeyRERCWLAKZYXASI-FTLITQJKSA-N
XLogP-0.91
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-4-carboxamide
CID 21796133
2-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]pyrimidine-4-carboxamide
CID 138023749
N-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyrimidine-4-carboxamide
CID 150056511
N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpyrimidine-4-carboxamide
CID 151661905
N-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpyrimidine-4-carboxamide
CID 151760522
N-[1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyrimidine-4-carboxamide
CID 156063518
N-[1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpyrimidine-4-carboxamide
CID 156063585
2-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyrimidine-4-carboxamide
CID 175968055
(2S)-2-amino-5-(pyrimidine-4-carbonylamino)pentanoic acid
CID 67328704
2-Amino-5-(pyrimidine-4-carbonylamino)pentanoic acid
CID 67328707
N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 69144390
N-(4-amino-2,3-dihydroxybutyl)-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 69657912

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]pyrimidine-4-carboxamide (CID 110125140) is N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]pyrimidine-4-carboxamide is O=C(N[C@@H]1CC[C@@H](O)[C@@H]1O)c1ccncn1.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]pyrimidine-4-carboxamide?
The InChIKey is RERCWLAKZYXASI-FTLITQJKSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-8-2-1-6(9(8)15)13-10(16)7-3-4-11-5-12-7/h3-6,8-9,14-15H,1-2H2,(H,13,16)/t6-,8-,9-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]pyrimidine-4-carboxamide?
N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]pyrimidine-4-carboxamide has a molecular weight of 223.23 g/mol, XLogP of -0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 110125140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).