N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide

C14H15FN4O2 — CID 136878883

IUPACN-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cn3c(n2)NCCC3)cc1F
InChIInChI=1S/C14H15FN4O2/c1-21-12-4-3-9(7-10(12)15)17-13(20)11-8-19-6-2-5-16-14(19)18-11/h3-4,7-8H,2,5-6H2,1H3,(H,16,18)(H,17,20)
InChIKeyRBKDNIHASDGNFS-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.10
Rot. Bonds3

About N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide

N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 136878883) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID136878883
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cn3c(n2)NCCC3)cc1F
InChIInChI=1S/C14H15FN4O2/c1-21-12-4-3-9(7-10(12)15)17-13(20)11-8-19-6-2-5-16-14(19)18-11/h3-4,7-8H,2,5-6H2,1H3,(H,16,18)(H,17,20)
InChIKeyRBKDNIHASDGNFS-UHFFFAOYSA-N
XLogP2.10
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136878680
3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369102
2-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66377615
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
N-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 43381036
N-(3-fluoro-4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705669
N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide
CID 60971449
1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide
CID 86996428
N-(3-fluoro-4-methoxyphenyl)-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194266
1-[2-(3-fluoro-4-methoxyanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 66289937
N-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide
CID 103892052
2,5-dichloro-N-(3-fluoro-4-methoxyphenyl)-4-methoxybenzamide
CID 167851526

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (CID 136878883) is N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is COc1ccc(NC(=O)c2cn3c(n2)NCCC3)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is RBKDNIHASDGNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-21-12-4-3-9(7-10(12)15)17-13(20)11-8-19-6-2-5-16-14(19)18-11/h3-4,7-8H,2,5-6H2,1H3,(H,16,18)(H,17,20).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 290.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 136878883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).