N-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide

C14H18N4O2 — CID 111460186

IUPACN-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCCC(O)C1)c1cn2cccnc2n1
InChIInChI=1S/C14H18N4O2/c19-11-4-1-3-10(7-11)8-16-13(20)12-9-18-6-2-5-15-14(18)17-12/h2,5-6,9-11,19H,1,3-4,7-8H2,(H,16,20)
InChIKeyUPLPBRIMTYSEQM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.01
Rot. Bonds3

About N-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 111460186) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID111460186
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCCC(O)C1)c1cn2cccnc2n1
InChIInChI=1S/C14H18N4O2/c19-11-4-1-3-10(7-11)8-16-13(20)12-9-18-6-2-5-15-14(18)17-12/h2,5-6,9-11,19H,1,3-4,7-8H2,(H,16,20)
InChIKeyUPLPBRIMTYSEQM-UHFFFAOYSA-N
XLogP1.01
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 146038483
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 94176071
N-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 66005188
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103691065
3-amino-N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 106135008
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 113241300
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146199
N-[2-(1-butanoylpyrrolidin-2-yl)-2-methylpropyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 155964502
N-[(3-hydroxycyclohexyl)methyl]-3-phenylimidazole-4-carboxamide
CID 111459853
N-[(3-hydroxycyclopentyl)methyl]quinoxaline-2-carboxamide
CID 103280180
N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 24870601

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 111460186) is N-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide is O=C(NCC1CCCC(O)C1)c1cn2cccnc2n1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is UPLPBRIMTYSEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-11-4-1-3-10(7-11)8-16-13(20)12-9-18-6-2-5-15-14(18)17-12/h2,5-6,9-11,19H,1,3-4,7-8H2,(H,16,20).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 111460186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).