N-(3,3-dimethylcyclopentyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide

C16H26N4O — CID 114540803

IUPACN-(3,3-dimethylcyclopentyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C16H26N4O/c1-10(2)14-18-9-12(17-5)13(20-14)15(21)19-11-6-7-16(3,4)8-11/h9-11,17H,6-8H2,1-5H3,(H,19,21)
InChIKeyJPKWRBJPDIOKPT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.95
Rot. Bonds4

About N-(3,3-dimethylcyclopentyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide

N-(3,3-dimethylcyclopentyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 114540803) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID114540803
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(3,3-dimethylcyclopentyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C16H26N4O/c1-10(2)14-18-9-12(17-5)13(20-14)15(21)19-11-6-7-16(3,4)8-11/h9-11,17H,6-8H2,1-5H3,(H,19,21)
InChIKeyJPKWRBJPDIOKPT-UHFFFAOYSA-N
XLogP2.95
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,3-dimethylcyclopentyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-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-(3,3-dimethylcyclopentyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide (CID 114540803) is N-(3,3-dimethylcyclopentyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide is CNc1cnc(C(C)C)nc1C(=O)NC1CCC(C)(C)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is JPKWRBJPDIOKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-10(2)14-18-9-12(17-5)13(20-14)15(21)19-11-6-7-16(3,4)8-11/h9-11,17H,6-8H2,1-5H3,(H,19,21).
What are the key properties of N-(3,3-dimethylcyclopentyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
N-(3,3-dimethylcyclopentyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 114540803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).