2-(4-fluorophenyl)-4-methyl-N-[1-(oxolan-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide

C20H21FN4O2 — CID 131987724

IUPAC2-(4-fluorophenyl)-4-methyl-N-[1-(oxolan-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2ccc(F)cc2)nc2c(C(=O)NC(C)C3CCCO3)ncn12
InChIInChI=1S/C20H21FN4O2/c1-12-10-16(14-5-7-15(21)8-6-14)24-19-18(22-11-25(12)19)20(26)23-13(2)17-4-3-9-27-17/h5-8,10-11,13,17H,3-4,9H2,1-2H3,(H,23,26)
InChIKeyPWYDWIYNBQPBCZ-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.14
Rot. Bonds4

About 2-(4-fluorophenyl)-4-methyl-N-[1-(oxolan-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide

2-(4-fluorophenyl)-4-methyl-N-[1-(oxolan-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131987724) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methyl-N-[1-(oxolan-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methyl-N-[1-(oxolan-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131987724
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name2-(4-fluorophenyl)-4-methyl-N-[1-(oxolan-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2ccc(F)cc2)nc2c(C(=O)NC(C)C3CCCO3)ncn12
InChIInChI=1S/C20H21FN4O2/c1-12-10-16(14-5-7-15(21)8-6-14)24-19-18(22-11-25(12)19)20(26)23-13(2)17-4-3-9-27-17/h5-8,10-11,13,17H,3-4,9H2,1-2H3,(H,23,26)
InChIKeyPWYDWIYNBQPBCZ-UHFFFAOYSA-N
XLogP3.14
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methyl-N-[1-(oxolan-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-4-methyl-N-[1-(oxolan-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide (CID 131987724) is 2-(4-fluorophenyl)-4-methyl-N-[1-(oxolan-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methyl-N-[1-(oxolan-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-4-methyl-N-[1-(oxolan-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(-c2ccc(F)cc2)nc2c(C(=O)NC(C)C3CCCO3)ncn12.
What is the InChIKey of 2-(4-fluorophenyl)-4-methyl-N-[1-(oxolan-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is PWYDWIYNBQPBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-12-10-16(14-5-7-15(21)8-6-14)24-19-18(22-11-25(12)19)20(26)23-13(2)17-4-3-9-27-17/h5-8,10-11,13,17H,3-4,9H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-fluorophenyl)-4-methyl-N-[1-(oxolan-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
2-(4-fluorophenyl)-4-methyl-N-[1-(oxolan-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methyl-N-[1-(oxolan-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131987724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).