4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidine

C10H15ClN4 — CID 63603025

IUPAC4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidine
SMILESCC1CN(c2cc(Cl)ncn2)CCN1C
InChIInChI=1S/C10H15ClN4/c1-8-6-15(4-3-14(8)2)10-5-9(11)12-7-13-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyPOUAVIFXBYKVTI-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.27
Rot. Bonds1

About 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidine

4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidine (PubChem CID 63603025) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidine
PubChem CID63603025
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidine
SMILESCC1CN(c2cc(Cl)ncn2)CCN1C
InChIInChI=1S/C10H15ClN4/c1-8-6-15(4-3-14(8)2)10-5-9(11)12-7-13-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyPOUAVIFXBYKVTI-UHFFFAOYSA-N
XLogP1.27
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidine 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 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidine (CID 63603025) is 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidine is CC1CN(c2cc(Cl)ncn2)CCN1C.
What is the InChIKey of 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidine?
The InChIKey is POUAVIFXBYKVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-8-6-15(4-3-14(8)2)10-5-9(11)12-7-13-10/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidine?
4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidine has a molecular weight of 226.71 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 63603025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).