5-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one

C20H27N5O2 — CID 75396080

IUPAC5-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)c1cc(N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)nc(C(C)C)n1
InChIInChI=1S/C20H27N5O2/c1-13(2)16-11-17(23-19(22-16)14(3)4)24-7-9-25(10-8-24)20(27)15-5-6-18(26)21-12-15/h5-6,11-14H,7-10H2,1-4H3,(H,21,26)
InChIKeyRCMPIHJEMAATLN-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.37
Rot. Bonds4

About 5-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one

5-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 75396080) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 5-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID75396080
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name5-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)c1cc(N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)nc(C(C)C)n1
InChIInChI=1S/C20H27N5O2/c1-13(2)16-11-17(23-19(22-16)14(3)4)24-7-9-25(10-8-24)20(27)15-5-6-18(26)21-12-15/h5-6,11-14H,7-10H2,1-4H3,(H,21,26)
InChIKeyRCMPIHJEMAATLN-UHFFFAOYSA-N
XLogP2.37
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-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-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one (CID 75396080) is 5-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one is CC(C)c1cc(N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)nc(C(C)C)n1.
What is the InChIKey of 5-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is RCMPIHJEMAATLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-13(2)16-11-17(23-19(22-16)14(3)4)24-7-9-25(10-8-24)20(27)15-5-6-18(26)21-12-15/h5-6,11-14H,7-10H2,1-4H3,(H,21,26).
What are the key properties of 5-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
5-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 369.47 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 75396080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).