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

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Related Compounds

2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 166481475
2-cyclopropyl-6-oxo-N-[1-[4-(trifluoromethylsulfanyl)phenyl]cyclopropyl]-1H-pyrimidine-4-carboxamide
CID 136982835
2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154865335
2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide
CID 167759812
2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide
CID 136982709
N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 146152825
5-cyclopropyl-1-methyl-N-(4-pyrimidin-2-yloxan-4-yl)pyrazole-3-carboxamide
CID 136566735
2-cyclopropyl-N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 154851326
2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154869775
2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 167945533
4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973649
2-cyclopropyl-6-oxo-N-[phenyl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-4-carboxamide
CID 136982840

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).