N-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide

C16H22N4O — CID 131987619

IUPACN-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2cnc(C(=O)NC(C)C(C)C3CC3)c2n1
InChIInChI=1S/C16H22N4O/c1-9-7-10(2)20-8-17-14(15(20)18-9)16(21)19-12(4)11(3)13-5-6-13/h7-8,11-13H,5-6H2,1-4H3,(H,19,21)
InChIKeyFEEQESRWPFQDPW-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.51
Rot. Bonds4

About N-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide

N-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131987619) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131987619
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2cnc(C(=O)NC(C)C(C)C3CC3)c2n1
InChIInChI=1S/C16H22N4O/c1-9-7-10(2)20-8-17-14(15(20)18-9)16(21)19-12(4)11(3)13-5-6-13/h7-8,11-13H,5-6H2,1-4H3,(H,19,21)
InChIKeyFEEQESRWPFQDPW-UHFFFAOYSA-N
XLogP2.51
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of N-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 131987619) is N-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(C)n2cnc(C(=O)NC(C)C(C)C3CC3)c2n1.
What is the InChIKey of N-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is FEEQESRWPFQDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-9-7-10(2)20-8-17-14(15(20)18-9)16(21)19-12(4)11(3)13-5-6-13/h7-8,11-13H,5-6H2,1-4H3,(H,19,21).
What are the key properties of N-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide?
N-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131987619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).