2-chloro-N-(1-cyclopropylethyl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide

C14H17ClN4O — CID 131987930

IUPAC2-chloro-N-(1-cyclopropylethyl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCCc1cc(Cl)nc2c(C(=O)NC(C)C3CC3)ncn12
InChIInChI=1S/C14H17ClN4O/c1-3-10-6-11(15)18-13-12(16-7-19(10)13)14(20)17-8(2)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,17,20)
InChIKeyNQIZRNAKMCTHPL-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.47
Rot. Bonds4

About 2-chloro-N-(1-cyclopropylethyl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide

2-chloro-N-(1-cyclopropylethyl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131987930) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopropylethyl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopropylethyl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131987930
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name2-chloro-N-(1-cyclopropylethyl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCCc1cc(Cl)nc2c(C(=O)NC(C)C3CC3)ncn12
InChIInChI=1S/C14H17ClN4O/c1-3-10-6-11(15)18-13-12(16-7-19(10)13)14(20)17-8(2)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,17,20)
InChIKeyNQIZRNAKMCTHPL-UHFFFAOYSA-N
XLogP2.47
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131988012
N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987826
N-(1-cyclopropylethyl)-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987827
N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987993
N-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131988070
N-[(1S)-1-cyclopropylethyl]-4-(4-fluorophenyl)-2-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131988181
N-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987619
N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen
CID 145382238
N-(1-cyclopropylethyl)-3-(4-fluorophenyl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987623
N-[(1S)-1-cyclopropylethyl]-2-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987900
2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131997911
2-(1,3-benzodioxol-4-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987676

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclopropylethyl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-chloro-N-(1-cyclopropylethyl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 131987930) is 2-chloro-N-(1-cyclopropylethyl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-cyclopropylethyl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-chloro-N-(1-cyclopropylethyl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide is CCc1cc(Cl)nc2c(C(=O)NC(C)C3CC3)ncn12.
What is the InChIKey of 2-chloro-N-(1-cyclopropylethyl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is NQIZRNAKMCTHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-3-10-6-11(15)18-13-12(16-7-19(10)13)14(20)17-8(2)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,17,20).
What are the key properties of 2-chloro-N-(1-cyclopropylethyl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide?
2-chloro-N-(1-cyclopropylethyl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclopropylethyl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131987930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).