5-[4-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one

C17H21N5O — CID 167820290

IUPAC5-[4-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one
SMILESO=c1ccc(N2CCN(c3cc(CC4CC4)ncn3)CC2)c[nH]1
InChIInChI=1S/C17H21N5O/c23-17-4-3-15(11-18-17)21-5-7-22(8-6-21)16-10-14(19-12-20-16)9-13-1-2-13/h3-4,10-13H,1-2,5-9H2,(H,18,23)
InChIKeyCLMDIRCZPZAQSP-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.44
Rot. Bonds4

About 5-[4-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one

5-[4-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one (PubChem CID 167820290) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-[4-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one
PubChem CID167820290
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name5-[4-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one
SMILESO=c1ccc(N2CCN(c3cc(CC4CC4)ncn3)CC2)c[nH]1
InChIInChI=1S/C17H21N5O/c23-17-4-3-15(11-18-17)21-5-7-22(8-6-21)16-10-14(19-12-20-16)9-13-1-2-13/h3-4,10-13H,1-2,5-9H2,(H,18,23)
InChIKeyCLMDIRCZPZAQSP-UHFFFAOYSA-N
XLogP1.44
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one 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 5-[4-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one (CID 167820290) is 5-[4-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one is O=c1ccc(N2CCN(c3cc(CC4CC4)ncn3)CC2)c[nH]1.
What is the InChIKey of 5-[4-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one?
The InChIKey is CLMDIRCZPZAQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c23-17-4-3-15(11-18-17)21-5-7-22(8-6-21)16-10-14(19-12-20-16)9-13-1-2-13/h3-4,10-13H,1-2,5-9H2,(H,18,23).
What are the key properties of 5-[4-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one?
5-[4-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one has a molecular weight of 311.39 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 167820290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).