7-cyclopentyl-N-methoxy-N,2-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C15H20N4O2 — CID 178155426

IUPAC7-cyclopentyl-N-methoxy-N,2-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCON(C)C(=O)c1cc2cnc(C)nc2n1C1CCCC1
InChIInChI=1S/C15H20N4O2/c1-10-16-9-11-8-13(15(20)18(2)21-3)19(14(11)17-10)12-6-4-5-7-12/h8-9,12H,4-7H2,1-3H3
InChIKeyTUKFKAYTVMGQCT-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.49
Rot. Bonds3

About 7-cyclopentyl-N-methoxy-N,2-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-N-methoxy-N,2-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 178155426) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 7-cyclopentyl-N-methoxy-N,2-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-N-methoxy-N,2-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID178155426
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name7-cyclopentyl-N-methoxy-N,2-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCON(C)C(=O)c1cc2cnc(C)nc2n1C1CCCC1
InChIInChI=1S/C15H20N4O2/c1-10-16-9-11-8-13(15(20)18(2)21-3)19(14(11)17-10)12-6-4-5-7-12/h8-9,12H,4-7H2,1-3H3
InChIKeyTUKFKAYTVMGQCT-UHFFFAOYSA-N
XLogP2.49
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-cyclopentyl-N-methoxy-N,2-dimethylpyrrolo[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 7-cyclopentyl-N-methoxy-N,2-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-N-methoxy-N,2-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 178155426) is 7-cyclopentyl-N-methoxy-N,2-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-N-methoxy-N,2-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-N-methoxy-N,2-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CON(C)C(=O)c1cc2cnc(C)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-N-methoxy-N,2-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is TUKFKAYTVMGQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-16-9-11-8-13(15(20)18(2)21-3)19(14(11)17-10)12-6-4-5-7-12/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 7-cyclopentyl-N-methoxy-N,2-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-N-methoxy-N,2-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-N-methoxy-N,2-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 178155426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).