1,3-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione

C11H18N4O2 — CID 1485672

IUPAC1,3-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione
SMILESCN1CCN(c2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C11H18N4O2/c1-12-4-6-15(7-5-12)9-8-10(16)14(3)11(17)13(9)2/h8H,4-7H2,1-3H3
InChIKeySNQDTCDQCUXRHD-UHFFFAOYSA-N
MW238.29 g/mol
LogP-1.16
Rot. Bonds1

About 1,3-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione

1,3-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione (PubChem CID 1485672) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1,3-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione
PubChem CID1485672
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1,3-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione
SMILESCN1CCN(c2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C11H18N4O2/c1-12-4-6-15(7-5-12)9-8-10(16)14(3)11(17)13(9)2/h8H,4-7H2,1-3H3
InChIKeySNQDTCDQCUXRHD-UHFFFAOYSA-N
XLogP-1.16
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione (CID 1485672) is 1,3-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione is CN1CCN(c2cc(=O)n(C)c(=O)n2C)CC1.
What is the InChIKey of 1,3-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione?
The InChIKey is SNQDTCDQCUXRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-12-4-6-15(7-5-12)9-8-10(16)14(3)11(17)13(9)2/h8H,4-7H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione?
1,3-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione has a molecular weight of 238.29 g/mol, XLogP of -1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 1485672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).