4,6-dichloro-2-(4-methylpiperidin-1-yl)pyrimidine

C10H13Cl2N3 — CID 25474747

IUPAC4,6-dichloro-2-(4-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCN(c2nc(Cl)cc(Cl)n2)CC1
InChIInChI=1S/C10H13Cl2N3/c1-7-2-4-15(5-3-7)10-13-8(11)6-9(12)14-10/h6-7H,2-5H2,1H3
InChIKeyMLJYIMUZKSRVDR-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.02
Rot. Bonds1

About 4,6-dichloro-2-(4-methylpiperidin-1-yl)pyrimidine

4,6-dichloro-2-(4-methylpiperidin-1-yl)pyrimidine (PubChem CID 25474747) has the molecular formula C10H13Cl2N3 and a molecular weight of 246.14 g/mol. Its IUPAC name is 4,6-dichloro-2-(4-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(4-methylpiperidin-1-yl)pyrimidine
PubChem CID25474747
Molecular FormulaC10H13Cl2N3
Molecular Weight246.14 g/mol
Exact Mass245.05
IUPAC Name4,6-dichloro-2-(4-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCN(c2nc(Cl)cc(Cl)n2)CC1
InChIInChI=1S/C10H13Cl2N3/c1-7-2-4-15(5-3-7)10-13-8(11)6-9(12)14-10/h6-7H,2-5H2,1H3
InChIKeyMLJYIMUZKSRVDR-UHFFFAOYSA-N
XLogP3.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-dichloro-2-(4-methylpiperidin-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 4,6-dichloro-2-(4-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(4-methylpiperidin-1-yl)pyrimidine (CID 25474747) is 4,6-dichloro-2-(4-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(4-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(4-methylpiperidin-1-yl)pyrimidine is CC1CCN(c2nc(Cl)cc(Cl)n2)CC1.
What is the InChIKey of 4,6-dichloro-2-(4-methylpiperidin-1-yl)pyrimidine?
The InChIKey is MLJYIMUZKSRVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3/c1-7-2-4-15(5-3-7)10-13-8(11)6-9(12)14-10/h6-7H,2-5H2,1H3.
What are the key properties of 4,6-dichloro-2-(4-methylpiperidin-1-yl)pyrimidine?
4,6-dichloro-2-(4-methylpiperidin-1-yl)pyrimidine has a molecular weight of 246.14 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(4-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 25474747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).