N-(4-fluoro-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

C17H22FN3O — CID 159088525

IUPACN-(4-fluoro-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC3CCC(C)(F)CC3)c2n1
InChIInChI=1S/C17H22FN3O/c1-11-10-12(2)21-9-6-14(15(21)19-11)16(22)20-13-4-7-17(3,18)8-5-13/h6,9-10,13H,4-5,7-8H2,1-3H3,(H,20,22)
InChIKeySZPBKRNUNQUCLE-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.35
Rot. Bonds2

About N-(4-fluoro-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

N-(4-fluoro-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 159088525) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(4-fluoro-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID159088525
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC NameN-(4-fluoro-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC3CCC(C)(F)CC3)c2n1
InChIInChI=1S/C17H22FN3O/c1-11-10-12(2)21-9-6-14(15(21)19-11)16(22)20-13-4-7-17(3,18)8-5-13/h6,9-10,13H,4-5,7-8H2,1-3H3,(H,20,22)
InChIKeySZPBKRNUNQUCLE-UHFFFAOYSA-N
XLogP3.35
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-fluoro-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of N-(4-fluoro-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 159088525) is N-(4-fluoro-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-(4-fluoro-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-(4-fluoro-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)NC3CCC(C)(F)CC3)c2n1.
What is the InChIKey of N-(4-fluoro-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is SZPBKRNUNQUCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-11-10-12(2)21-9-6-14(15(21)19-11)16(22)20-13-4-7-17(3,18)8-5-13/h6,9-10,13H,4-5,7-8H2,1-3H3,(H,20,22).
What are the key properties of N-(4-fluoro-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
N-(4-fluoro-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 159088525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).