5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine

C15H17Cl2N5 — CID 163345660

IUPAC5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C15H17Cl2N5/c1-21(15-19-9-12(17)10-20-15)13-4-6-22(7-5-13)14-3-2-11(16)8-18-14/h2-3,8-10,13H,4-7H2,1H3
InChIKeyVAIHHJUBXYERQI-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.28
Rot. Bonds3

About 5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine

5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine (PubChem CID 163345660) has the molecular formula C15H17Cl2N5 and a molecular weight of 338.24 g/mol. Its IUPAC name is 5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine
PubChem CID163345660
Molecular FormulaC15H17Cl2N5
Molecular Weight338.24 g/mol
Exact Mass337.09
IUPAC Name5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C15H17Cl2N5/c1-21(15-19-9-12(17)10-20-15)13-4-6-22(7-5-13)14-3-2-11(16)8-18-14/h2-3,8-10,13H,4-7H2,1H3
InChIKeyVAIHHJUBXYERQI-UHFFFAOYSA-N
XLogP3.28
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine 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 5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine (CID 163345660) is 5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine is CN(c1ncc(Cl)cn1)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine?
The InChIKey is VAIHHJUBXYERQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5/c1-21(15-19-9-12(17)10-20-15)13-4-6-22(7-5-13)14-3-2-11(16)8-18-14/h2-3,8-10,13H,4-7H2,1H3.
What are the key properties of 5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine?
5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine has a molecular weight of 338.24 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 163345660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).