2,4-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

C16H22N4O — CID 72713742

IUPAC2,4-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)[nH]c2n1
InChIInChI=1S/C16H22N4O/c1-9-6-4-5-7-13(9)20-16(21)14-8-12-10(2)17-11(3)18-15(12)19-14/h8-9,13H,4-7H2,1-3H3,(H,20,21)(H,17,18,19)/t9-,13+/m0/s1
InChIKeyHSVUNGFNXXWGPY-TVQRCGJNSA-N
MW286.38 g/mol
LogP2.88
Rot. Bonds2

About 2,4-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

2,4-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 72713742) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID72713742
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2,4-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)[nH]c2n1
InChIInChI=1S/C16H22N4O/c1-9-6-4-5-7-13(9)20-16(21)14-8-12-10(2)17-11(3)18-15(12)19-14/h8-9,13H,4-7H2,1-3H3,(H,20,21)(H,17,18,19)/t9-,13+/m0/s1
InChIKeyHSVUNGFNXXWGPY-TVQRCGJNSA-N
XLogP2.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-6-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 2,4-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 72713742) is 2,4-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C)c2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)[nH]c2n1.
What is the InChIKey of 2,4-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HSVUNGFNXXWGPY-TVQRCGJNSA-N. The full InChI is InChI=1S/C16H22N4O/c1-9-6-4-5-7-13(9)20-16(21)14-8-12-10(2)17-11(3)18-15(12)19-14/h8-9,13H,4-7H2,1-3H3,(H,20,21)(H,17,18,19)/t9-,13+/m0/s1.
What are the key properties of 2,4-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
2,4-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 72713742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).