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

C17H23N3O2 — CID 121330118

IUPACN-(2-methoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCOC1CCCCC1NC(=O)c1ccn2c(C)cc(C)nc12
InChIInChI=1S/C17H23N3O2/c1-11-10-12(2)20-9-8-13(16(20)18-11)17(21)19-14-6-4-5-7-15(14)22-3/h8-10,14-15H,4-7H2,1-3H3,(H,19,21)
InChIKeyJCSUPWUHSCGXIB-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.64
Rot. Bonds3

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

N-(2-methoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121330118) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121330118
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(2-methoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCOC1CCCCC1NC(=O)c1ccn2c(C)cc(C)nc12
InChIInChI=1S/C17H23N3O2/c1-11-10-12(2)20-9-8-13(16(20)18-11)17(21)19-14-6-4-5-7-15(14)22-3/h8-10,14-15H,4-7H2,1-3H3,(H,19,21)
InChIKeyJCSUPWUHSCGXIB-UHFFFAOYSA-N
XLogP2.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxycyclohexyl)-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-(2-methoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of N-(2-methoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121330118) is N-(2-methoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-(2-methoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-(2-methoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is COC1CCCCC1NC(=O)c1ccn2c(C)cc(C)nc12.
What is the InChIKey of N-(2-methoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is JCSUPWUHSCGXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-10-12(2)20-9-8-13(16(20)18-11)17(21)19-14-6-4-5-7-15(14)22-3/h8-10,14-15H,4-7H2,1-3H3,(H,19,21).
What are the key properties of N-(2-methoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
N-(2-methoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121330118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).