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

C14H17N5O — CID 53191798

IUPAC4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-2-one
SMILESO=c1cc(CN2CCN(c3ncccn3)CC2)cc[nH]1
InChIInChI=1S/C14H17N5O/c20-13-10-12(2-5-15-13)11-18-6-8-19(9-7-18)14-16-3-1-4-17-14/h1-5,10H,6-9,11H2,(H,15,20)
InChIKeyBMXVQFGFSSKDSI-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.49
Rot. Bonds3

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

4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-2-one (PubChem CID 53191798) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-2-one
PubChem CID53191798
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-2-one
SMILESO=c1cc(CN2CCN(c3ncccn3)CC2)cc[nH]1
InChIInChI=1S/C14H17N5O/c20-13-10-12(2-5-15-13)11-18-6-8-19(9-7-18)14-16-3-1-4-17-14/h1-5,10H,6-9,11H2,(H,15,20)
InChIKeyBMXVQFGFSSKDSI-UHFFFAOYSA-N
XLogP0.49
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1H-pyridin-2-one
CID 146109753
2-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenesulfonamide
CID 69189905
3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 59474843
2-[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 3756796
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine;chloride;hydrate
CID 45114229
2,6-ditert-butyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 2837847
N-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]formamide
CID 18423066
bis(2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol);hydrate;tetrahydrochloride
CID 23618065
2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 2838087
2-[4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 50972913
N-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 11702585
3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-imidazol-2-one
CID 118772854

Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The IUPAC name of 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-2-one (CID 53191798) is 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-2-one is O=c1cc(CN2CCN(c3ncccn3)CC2)cc[nH]1.
What is the InChIKey of 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The InChIKey is BMXVQFGFSSKDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c20-13-10-12(2-5-15-13)11-18-6-8-19(9-7-18)14-16-3-1-4-17-14/h1-5,10H,6-9,11H2,(H,15,20).
What are the key properties of 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-2-one has a molecular weight of 271.32 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 53191798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).