2-ethyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one

C11H19N5O — CID 137016607

IUPAC2-ethyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NN2CCN(C)CC2)cc(=O)[nH]1
InChIInChI=1S/C11H19N5O/c1-3-9-12-10(8-11(17)13-9)14-16-6-4-15(2)5-7-16/h8H,3-7H2,1-2H3,(H2,12,13,14,17)
InChIKeyKLFHFSPLAWJQOD-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.09
Rot. Bonds3

About 2-ethyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one

2-ethyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one (PubChem CID 137016607) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-ethyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one
PubChem CID137016607
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-ethyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NN2CCN(C)CC2)cc(=O)[nH]1
InChIInChI=1S/C11H19N5O/c1-3-9-12-10(8-11(17)13-9)14-16-6-4-15(2)5-7-16/h8H,3-7H2,1-2H3,(H2,12,13,14,17)
InChIKeyKLFHFSPLAWJQOD-UHFFFAOYSA-N
XLogP-0.09
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one
CID 136976670
4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136976280
2-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]-1H-pyrimidin-6-one
CID 137016321
2-ethyl-4-(3-pyrrolidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136975586
2-ethyl-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136974971
2-ethyl-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 136977181
2-ethyl-4-[(1-ethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136974521
4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
4-(cyclopent-3-en-1-ylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136977072
4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136768848
2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750490
2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136974286

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one (CID 137016607) is 2-ethyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one is CCc1nc(NN2CCN(C)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is KLFHFSPLAWJQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-9-12-10(8-11(17)13-9)14-16-6-4-15(2)5-7-16/h8H,3-7H2,1-2H3,(H2,12,13,14,17).
What are the key properties of 2-ethyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 237.31 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137016607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).