N-(3-hydroxy-3-phenylpropyl)imidazo[1,2-a]pyrimidine-2-carboxamide

C16H16N4O2 — CID 111472086

IUPACN-(3-hydroxy-3-phenylpropyl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCCC(O)c1ccccc1)c1cn2cccnc2n1
InChIInChI=1S/C16H16N4O2/c21-14(12-5-2-1-3-6-12)7-9-17-15(22)13-11-20-10-4-8-18-16(20)19-13/h1-6,8,10-11,14,21H,7,9H2,(H,17,22)
InChIKeyCCGDJHMDVGOLNF-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.58
Rot. Bonds5

About N-(3-hydroxy-3-phenylpropyl)imidazo[1,2-a]pyrimidine-2-carboxamide

N-(3-hydroxy-3-phenylpropyl)imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 111472086) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID111472086
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-(3-hydroxy-3-phenylpropyl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCCC(O)c1ccccc1)c1cn2cccnc2n1
InChIInChI=1S/C16H16N4O2/c21-14(12-5-2-1-3-6-12)7-9-17-15(22)13-11-20-10-4-8-18-16(20)19-13/h1-6,8,10-11,14,21H,7,9H2,(H,17,22)
InChIKeyCCGDJHMDVGOLNF-UHFFFAOYSA-N
XLogP1.58
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)-2-hydroxyethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 110899057
N-[2-(furan-2-yl)-2-hydroxyethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 110899099
N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 99712859
N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111471624
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 94176071
N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 111471949
2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide
CID 111472064
N-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111661954
N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 74235431
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 146264054
N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide
CID 97038566
4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 97038568

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)imidazo[1,2-a]pyrimidine-2-carboxamide (CID 111472086) is N-(3-hydroxy-3-phenylpropyl)imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)imidazo[1,2-a]pyrimidine-2-carboxamide is O=C(NCCC(O)c1ccccc1)c1cn2cccnc2n1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is CCGDJHMDVGOLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-14(12-5-2-1-3-6-12)7-9-17-15(22)13-11-20-10-4-8-18-16(20)19-13/h1-6,8,10-11,14,21H,7,9H2,(H,17,22).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
N-(3-hydroxy-3-phenylpropyl)imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 111472086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).