4-(2,4-dimethylpiperazin-1-yl)-2-ethyl-1H-pyrimidin-6-one

C12H20N4O — CID 136726433

IUPAC4-(2,4-dimethylpiperazin-1-yl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCN(C)CC2C)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-4-10-13-11(7-12(17)14-10)16-6-5-15(3)8-9(16)2/h7,9H,4-6,8H2,1-3H3,(H,13,14,17)
InChIKeyBFZWJBQRQWSWCV-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.47
Rot. Bonds2

About 4-(2,4-dimethylpiperazin-1-yl)-2-ethyl-1H-pyrimidin-6-one

4-(2,4-dimethylpiperazin-1-yl)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136726433) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(2,4-dimethylpiperazin-1-yl)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,4-dimethylpiperazin-1-yl)-2-ethyl-1H-pyrimidin-6-one
PubChem CID136726433
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-(2,4-dimethylpiperazin-1-yl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCN(C)CC2C)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-4-10-13-11(7-12(17)14-10)16-6-5-15(3)8-9(16)2/h7,9H,4-6,8H2,1-3H3,(H,13,14,17)
InChIKeyBFZWJBQRQWSWCV-UHFFFAOYSA-N
XLogP0.47
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,4-dimethylpiperazin-1-yl)-2-ethyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Amino-5-(4-(aminomethyl)-1-piperazinyl)-2-methyl-4-pyrimidinol
CID 135450418
2-[1-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
CID 137097419
2-(1-piperazin-1-ylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136171456
4-(difluoromethyl)-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 136171494
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136728227
2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136957807
2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009570
2-ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009573
2-[(1S)-1-[(3R)-4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
CID 137186875
2-[(1S)-1-[(3S)-4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
CID 137186876
2-[(1R)-1-[(3S)-4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
CID 137212603
2-[(1R)-1-[(3R)-4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
CID 137212604

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpiperazin-1-yl)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,4-dimethylpiperazin-1-yl)-2-ethyl-1H-pyrimidin-6-one (CID 136726433) is 4-(2,4-dimethylpiperazin-1-yl)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,4-dimethylpiperazin-1-yl)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,4-dimethylpiperazin-1-yl)-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N2CCN(C)CC2C)cc(=O)[nH]1.
What is the InChIKey of 4-(2,4-dimethylpiperazin-1-yl)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is BFZWJBQRQWSWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-10-13-11(7-12(17)14-10)16-6-5-15(3)8-9(16)2/h7,9H,4-6,8H2,1-3H3,(H,13,14,17).
What are the key properties of 4-(2,4-dimethylpiperazin-1-yl)-2-ethyl-1H-pyrimidin-6-one?
4-(2,4-dimethylpiperazin-1-yl)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpiperazin-1-yl)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136726433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).