2-cyclopropyl-6-oxo-N-(1-pyrimidin-2-ylcyclobutyl)-1H-pyrimidine-4-carboxamide

C16H17N5O2 — CID 166265824

IUPAC2-cyclopropyl-6-oxo-N-(1-pyrimidin-2-ylcyclobutyl)-1H-pyrimidine-4-carboxamide
SMILESO=C(NC1(c2ncccn2)CCC1)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H17N5O2/c22-12-9-11(19-13(20-12)10-3-4-10)14(23)21-16(5-1-6-16)15-17-7-2-8-18-15/h2,7-10H,1,3-6H2,(H,21,23)(H,19,20,22)
InChIKeyOHSMBECNXDLIKG-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.25
Rot. Bonds4

About 2-cyclopropyl-6-oxo-N-(1-pyrimidin-2-ylcyclobutyl)-1H-pyrimidine-4-carboxamide

2-cyclopropyl-6-oxo-N-(1-pyrimidin-2-ylcyclobutyl)-1H-pyrimidine-4-carboxamide (PubChem CID 166265824) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-oxo-N-(1-pyrimidin-2-ylcyclobutyl)-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-oxo-N-(1-pyrimidin-2-ylcyclobutyl)-1H-pyrimidine-4-carboxamide
PubChem CID166265824
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name2-cyclopropyl-6-oxo-N-(1-pyrimidin-2-ylcyclobutyl)-1H-pyrimidine-4-carboxamide
SMILESO=C(NC1(c2ncccn2)CCC1)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H17N5O2/c22-12-9-11(19-13(20-12)10-3-4-10)14(23)21-16(5-1-6-16)15-17-7-2-8-18-15/h2,7-10H,1,3-6H2,(H,21,23)(H,19,20,22)
InChIKeyOHSMBECNXDLIKG-UHFFFAOYSA-N
XLogP1.25
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-6-oxo-N-(1-pyrimidin-2-ylcyclobutyl)-1H-pyrimidine-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 2-cyclopropyl-6-oxo-N-(1-pyrimidin-2-ylcyclobutyl)-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-oxo-N-(1-pyrimidin-2-ylcyclobutyl)-1H-pyrimidine-4-carboxamide (CID 166265824) is 2-cyclopropyl-6-oxo-N-(1-pyrimidin-2-ylcyclobutyl)-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-oxo-N-(1-pyrimidin-2-ylcyclobutyl)-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-oxo-N-(1-pyrimidin-2-ylcyclobutyl)-1H-pyrimidine-4-carboxamide is O=C(NC1(c2ncccn2)CCC1)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-oxo-N-(1-pyrimidin-2-ylcyclobutyl)-1H-pyrimidine-4-carboxamide?
The InChIKey is OHSMBECNXDLIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c22-12-9-11(19-13(20-12)10-3-4-10)14(23)21-16(5-1-6-16)15-17-7-2-8-18-15/h2,7-10H,1,3-6H2,(H,21,23)(H,19,20,22).
What are the key properties of 2-cyclopropyl-6-oxo-N-(1-pyrimidin-2-ylcyclobutyl)-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-6-oxo-N-(1-pyrimidin-2-ylcyclobutyl)-1H-pyrimidine-4-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-oxo-N-(1-pyrimidin-2-ylcyclobutyl)-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 166265824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).