4-methyl-2-(oxan-4-yl)-N-(4-propoxycyclohexyl)imidazo[1,5-a]pyrimidine-8-carboxamide

C22H32N4O3 — CID 158227377

IUPAC4-methyl-2-(oxan-4-yl)-N-(4-propoxycyclohexyl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCCCOC1CCC(NC(=O)c2ncn3c(C)cc(C4CCOCC4)nc23)CC1
InChIInChI=1S/C22H32N4O3/c1-3-10-29-18-6-4-17(5-7-18)24-22(27)20-21-25-19(16-8-11-28-12-9-16)13-15(2)26(21)14-23-20/h13-14,16-18H,3-12H2,1-2H3,(H,24,27)
InChIKeyYBTMULHXDDGFTC-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.40
Rot. Bonds6

About 4-methyl-2-(oxan-4-yl)-N-(4-propoxycyclohexyl)imidazo[1,5-a]pyrimidine-8-carboxamide

4-methyl-2-(oxan-4-yl)-N-(4-propoxycyclohexyl)imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 158227377) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-methyl-2-(oxan-4-yl)-N-(4-propoxycyclohexyl)imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(oxan-4-yl)-N-(4-propoxycyclohexyl)imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID158227377
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name4-methyl-2-(oxan-4-yl)-N-(4-propoxycyclohexyl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCCCOC1CCC(NC(=O)c2ncn3c(C)cc(C4CCOCC4)nc23)CC1
InChIInChI=1S/C22H32N4O3/c1-3-10-29-18-6-4-17(5-7-18)24-22(27)20-21-25-19(16-8-11-28-12-9-16)13-15(2)26(21)14-23-20/h13-14,16-18H,3-12H2,1-2H3,(H,24,27)
InChIKeyYBTMULHXDDGFTC-UHFFFAOYSA-N
XLogP3.40
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxan-4-yl)-N-(4-propoxycyclohexyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 4-methyl-2-(oxan-4-yl)-N-(4-propoxycyclohexyl)imidazo[1,5-a]pyrimidine-8-carboxamide (CID 158227377) is 4-methyl-2-(oxan-4-yl)-N-(4-propoxycyclohexyl)imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 4-methyl-2-(oxan-4-yl)-N-(4-propoxycyclohexyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 4-methyl-2-(oxan-4-yl)-N-(4-propoxycyclohexyl)imidazo[1,5-a]pyrimidine-8-carboxamide is CCCOC1CCC(NC(=O)c2ncn3c(C)cc(C4CCOCC4)nc23)CC1.
What is the InChIKey of 4-methyl-2-(oxan-4-yl)-N-(4-propoxycyclohexyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is YBTMULHXDDGFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-3-10-29-18-6-4-17(5-7-18)24-22(27)20-21-25-19(16-8-11-28-12-9-16)13-15(2)26(21)14-23-20/h13-14,16-18H,3-12H2,1-2H3,(H,24,27).
What are the key properties of 4-methyl-2-(oxan-4-yl)-N-(4-propoxycyclohexyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
4-methyl-2-(oxan-4-yl)-N-(4-propoxycyclohexyl)imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxan-4-yl)-N-(4-propoxycyclohexyl)imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 158227377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).