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

C13H20N4O — CID 136726431

IUPAC2-cyclopropyl-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CN(C)CCN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H20N4O/c1-9-8-16(2)5-6-17(9)11-7-12(18)15-13(14-11)10-3-4-10/h7,9-10H,3-6,8H2,1-2H3,(H,14,15,18)
InChIKeyQUOUSJNAGKQTBW-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.79
Rot. Bonds2

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

2-cyclopropyl-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136726431) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID136726431
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-cyclopropyl-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CN(C)CCN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H20N4O/c1-9-8-16(2)5-6-17(9)11-7-12(18)15-13(14-11)10-3-4-10/h7,9-10H,3-6,8H2,1-2H3,(H,14,15,18)
InChIKeyQUOUSJNAGKQTBW-UHFFFAOYSA-N
XLogP0.79
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-(2,4-dimethylpiperazin-1-yl)-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

2-Cyclopropyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135416704
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136932125
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-cyclopropyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009574
4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 55221568
2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 63362941
2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 63362942
2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidin-6-one
CID 79659297
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557
2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one
CID 115414459
2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 115414468

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 136726431) is 2-cyclopropyl-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one is CC1CN(C)CCN1c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is QUOUSJNAGKQTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-8-16(2)5-6-17(9)11-7-12(18)15-13(14-11)10-3-4-10/h7,9-10H,3-6,8H2,1-2H3,(H,14,15,18).
What are the key properties of 2-cyclopropyl-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 248.33 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136726431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).