N-[(1S,3S)-3-hydroxycyclopentyl]-4-imidazol-1-ylpyrimidine-2-carboxamide

C13H15N5O2 — CID 166481422

IUPACN-[(1S,3S)-3-hydroxycyclopentyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
SMILESO=C(N[C@H]1CC[C@H](O)C1)c1nccc(-n2ccnc2)n1
InChIInChI=1S/C13H15N5O2/c19-10-2-1-9(7-10)16-13(20)12-15-4-3-11(17-12)18-6-5-14-8-18/h3-6,8-10,19H,1-2,7H2,(H,16,20)/t9-,10-/m0/s1
InChIKeyQVZPWYBLRWJEEJ-UWVGGRQHSA-N
MW273.30 g/mol
LogP0.31
Rot. Bonds3

About N-[(1S,3S)-3-hydroxycyclopentyl]-4-imidazol-1-ylpyrimidine-2-carboxamide

N-[(1S,3S)-3-hydroxycyclopentyl]-4-imidazol-1-ylpyrimidine-2-carboxamide (PubChem CID 166481422) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[(1S,3S)-3-hydroxycyclopentyl]-4-imidazol-1-ylpyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-hydroxycyclopentyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
PubChem CID166481422
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-[(1S,3S)-3-hydroxycyclopentyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
SMILESO=C(N[C@H]1CC[C@H](O)C1)c1nccc(-n2ccnc2)n1
InChIInChI=1S/C13H15N5O2/c19-10-2-1-9(7-10)16-13(20)12-15-4-3-11(17-12)18-6-5-14-8-18/h3-6,8-10,19H,1-2,7H2,(H,16,20)/t9-,10-/m0/s1
InChIKeyQVZPWYBLRWJEEJ-UWVGGRQHSA-N
XLogP0.31
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S,3S)-3-hydroxycyclopentyl]-4-imidazol-1-ylpyrimidine-2-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

N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
CID 166481322
N-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol
CID 166480997
6-imidazol-1-yl-N-(3-methoxycyclopentyl)pyridine-2-carboxamide
CID 166481672
N-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen
CID 166480957
N-[6-(difluoromethoxy)-3-pyridinyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
CID 166481282
N-(4-hydroxycyclohexyl)-4-(3-methylimidazol-4-yl)pyrimidine-2-carboxamide
CID 166481201
2-imidazol-1-yl-N-(2-methylpiperidin-4-yl)pyridine-4-carboxamide;dihydrochloride
CID 120598171
N-[(3-hydroxycyclopentyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 103279750
2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
CID 156885753
1-cyclohexyl-3-[2-(6-imidazol-1-yl-2-pyridinyl)ethyl]urea
CID 70887053
N-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 166481590
tert-butyl 4-[(6-imidazol-1-ylpyridine-2-carbonyl)amino]piperidine-1-carboxylate
CID 166481495

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-hydroxycyclopentyl]-4-imidazol-1-ylpyrimidine-2-carboxamide?
The IUPAC name of N-[(1S,3S)-3-hydroxycyclopentyl]-4-imidazol-1-ylpyrimidine-2-carboxamide (CID 166481422) is N-[(1S,3S)-3-hydroxycyclopentyl]-4-imidazol-1-ylpyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1S,3S)-3-hydroxycyclopentyl]-4-imidazol-1-ylpyrimidine-2-carboxamide?
The canonical SMILES for N-[(1S,3S)-3-hydroxycyclopentyl]-4-imidazol-1-ylpyrimidine-2-carboxamide is O=C(N[C@H]1CC[C@H](O)C1)c1nccc(-n2ccnc2)n1.
What is the InChIKey of N-[(1S,3S)-3-hydroxycyclopentyl]-4-imidazol-1-ylpyrimidine-2-carboxamide?
The InChIKey is QVZPWYBLRWJEEJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-10-2-1-9(7-10)16-13(20)12-15-4-3-11(17-12)18-6-5-14-8-18/h3-6,8-10,19H,1-2,7H2,(H,16,20)/t9-,10-/m0/s1.
What are the key properties of N-[(1S,3S)-3-hydroxycyclopentyl]-4-imidazol-1-ylpyrimidine-2-carboxamide?
N-[(1S,3S)-3-hydroxycyclopentyl]-4-imidazol-1-ylpyrimidine-2-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-hydroxycyclopentyl]-4-imidazol-1-ylpyrimidine-2-carboxamide is sourced from PubChem (CID 166481422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).