2,4-dimethyl-N-[2-(4-methylcyclohexyl)propan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide

C19H28N4O — CID 159819945

IUPAC2,4-dimethyl-N-[2-(4-methylcyclohexyl)propan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2cnc(C(=O)NC(C)(C)C3CCC(C)CC3)c2n1
InChIInChI=1S/C19H28N4O/c1-12-6-8-15(9-7-12)19(4,5)22-18(24)16-17-21-13(2)10-14(3)23(17)11-20-16/h10-12,15H,6-9H2,1-5H3,(H,22,24)
InChIKeyRPMFPSQTWZRXOT-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.68
Rot. Bonds3

About 2,4-dimethyl-N-[2-(4-methylcyclohexyl)propan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide

2,4-dimethyl-N-[2-(4-methylcyclohexyl)propan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 159819945) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(4-methylcyclohexyl)propan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(4-methylcyclohexyl)propan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID159819945
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2,4-dimethyl-N-[2-(4-methylcyclohexyl)propan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2cnc(C(=O)NC(C)(C)C3CCC(C)CC3)c2n1
InChIInChI=1S/C19H28N4O/c1-12-6-8-15(9-7-12)19(4,5)22-18(24)16-17-21-13(2)10-14(3)23(17)11-20-16/h10-12,15H,6-9H2,1-5H3,(H,22,24)
InChIKeyRPMFPSQTWZRXOT-UHFFFAOYSA-N
XLogP3.68
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(4-methylcyclohexyl)propan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-(4-methylcyclohexyl)propan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide (CID 159819945) is 2,4-dimethyl-N-[2-(4-methylcyclohexyl)propan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(4-methylcyclohexyl)propan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(4-methylcyclohexyl)propan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(C)n2cnc(C(=O)NC(C)(C)C3CCC(C)CC3)c2n1.
What is the InChIKey of 2,4-dimethyl-N-[2-(4-methylcyclohexyl)propan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is RPMFPSQTWZRXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-12-6-8-15(9-7-12)19(4,5)22-18(24)16-17-21-13(2)10-14(3)23(17)11-20-16/h10-12,15H,6-9H2,1-5H3,(H,22,24).
What are the key properties of 2,4-dimethyl-N-[2-(4-methylcyclohexyl)propan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide?
2,4-dimethyl-N-[2-(4-methylcyclohexyl)propan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(4-methylcyclohexyl)propan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 159819945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).