1-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one

C15H19N5O — CID 53191770

IUPAC1-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
SMILESCn1ccc(CN2CCN(c3ncccn3)CC2)cc1=O
InChIInChI=1S/C15H19N5O/c1-18-6-3-13(11-14(18)21)12-19-7-9-20(10-8-19)15-16-4-2-5-17-15/h2-6,11H,7-10,12H2,1H3
InChIKeyGFPWELWDTQOBSY-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.50
Rot. Bonds3

About 1-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one

1-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one (PubChem CID 53191770) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
PubChem CID53191770
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
SMILESCn1ccc(CN2CCN(c3ncccn3)CC2)cc1=O
InChIInChI=1S/C15H19N5O/c1-18-6-3-13(11-14(18)21)12-19-7-9-20(10-8-19)15-16-4-2-5-17-15/h2-6,11H,7-10,12H2,1H3
InChIKeyGFPWELWDTQOBSY-UHFFFAOYSA-N
XLogP0.50
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one (CID 53191770) is 1-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one is Cn1ccc(CN2CCN(c3ncccn3)CC2)cc1=O.
What is the InChIKey of 1-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one?
The InChIKey is GFPWELWDTQOBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-18-6-3-13(11-14(18)21)12-19-7-9-20(10-8-19)15-16-4-2-5-17-15/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 1-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one?
1-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one has a molecular weight of 285.35 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-one is sourced from PubChem (CID 53191770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).