4-[4-methyl-6,8-di(propan-2-yl)imidazo[1,5-a]pyrimidin-2-yl]morpholine

C17H26N4O — CID 134909169

IUPAC4-[4-methyl-6,8-di(propan-2-yl)imidazo[1,5-a]pyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc2c(C(C)C)nc(C(C)C)n12
InChIInChI=1S/C17H26N4O/c1-11(2)15-17-18-14(20-6-8-22-9-7-20)10-13(5)21(17)16(19-15)12(3)4/h10-12H,6-9H2,1-5H3
InChIKeyXTEAHZVZOSQVAZ-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.12
Rot. Bonds3

About 4-[4-methyl-6,8-di(propan-2-yl)imidazo[1,5-a]pyrimidin-2-yl]morpholine

4-[4-methyl-6,8-di(propan-2-yl)imidazo[1,5-a]pyrimidin-2-yl]morpholine (PubChem CID 134909169) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[4-methyl-6,8-di(propan-2-yl)imidazo[1,5-a]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-methyl-6,8-di(propan-2-yl)imidazo[1,5-a]pyrimidin-2-yl]morpholine
PubChem CID134909169
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name4-[4-methyl-6,8-di(propan-2-yl)imidazo[1,5-a]pyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc2c(C(C)C)nc(C(C)C)n12
InChIInChI=1S/C17H26N4O/c1-11(2)15-17-18-14(20-6-8-22-9-7-20)10-13(5)21(17)16(19-15)12(3)4/h10-12H,6-9H2,1-5H3
InChIKeyXTEAHZVZOSQVAZ-UHFFFAOYSA-N
XLogP3.12
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-6,8-di(propan-2-yl)imidazo[1,5-a]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-methyl-6,8-di(propan-2-yl)imidazo[1,5-a]pyrimidin-2-yl]morpholine (CID 134909169) is 4-[4-methyl-6,8-di(propan-2-yl)imidazo[1,5-a]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-methyl-6,8-di(propan-2-yl)imidazo[1,5-a]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-methyl-6,8-di(propan-2-yl)imidazo[1,5-a]pyrimidin-2-yl]morpholine is Cc1cc(N2CCOCC2)nc2c(C(C)C)nc(C(C)C)n12.
What is the InChIKey of 4-[4-methyl-6,8-di(propan-2-yl)imidazo[1,5-a]pyrimidin-2-yl]morpholine?
The InChIKey is XTEAHZVZOSQVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-11(2)15-17-18-14(20-6-8-22-9-7-20)10-13(5)21(17)16(19-15)12(3)4/h10-12H,6-9H2,1-5H3.
What are the key properties of 4-[4-methyl-6,8-di(propan-2-yl)imidazo[1,5-a]pyrimidin-2-yl]morpholine?
4-[4-methyl-6,8-di(propan-2-yl)imidazo[1,5-a]pyrimidin-2-yl]morpholine has a molecular weight of 302.42 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-6,8-di(propan-2-yl)imidazo[1,5-a]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 134909169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).