4-ethyl-2-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one

C16H19N5O2 — CID 136527471

IUPAC4-ethyl-2-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(N3CCN(C)C(=O)C3)nc2)n1
InChIInChI=1S/C16H19N5O2/c1-3-12-8-14(22)19-16(18-12)11-4-5-13(17-9-11)21-7-6-20(2)15(23)10-21/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,18,19,22)
InChIKeyJDKKEMDTWLCPDA-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.67
Rot. Bonds3

About 4-ethyl-2-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one

4-ethyl-2-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 136527471) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-ethyl-2-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID136527471
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name4-ethyl-2-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(N3CCN(C)C(=O)C3)nc2)n1
InChIInChI=1S/C16H19N5O2/c1-3-12-8-14(22)19-16(18-12)11-4-5-13(17-9-11)21-7-6-20(2)15(23)10-21/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,18,19,22)
InChIKeyJDKKEMDTWLCPDA-UHFFFAOYSA-N
XLogP0.67
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-[6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137256516
2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137275494
4-ethyl-2-[6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137271982
2-[6-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136524613
4-ethyl-2-[6-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264948
2-[6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268286
4-ethyl-2-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264971
2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136581628
4-ethyl-2-[6-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268715
1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 137061301
4-ethyl-2-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137251142
4-ethyl-2-[6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137257680

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one (CID 136527471) is 4-ethyl-2-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(N3CCN(C)C(=O)C3)nc2)n1.
What is the InChIKey of 4-ethyl-2-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is JDKKEMDTWLCPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-3-12-8-14(22)19-16(18-12)11-4-5-13(17-9-11)21-7-6-20(2)15(23)10-21/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,18,19,22).
What are the key properties of 4-ethyl-2-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one?
4-ethyl-2-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 313.36 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136527471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).