4-chloro-6-piperidin-1-ylpyrimidine

C9H12ClN3 — CID 597870

IUPAC4-chloro-6-piperidin-1-ylpyrimidine
SMILESClc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C9H12ClN3/c10-8-6-9(12-7-11-8)13-4-2-1-3-5-13/h6-7H,1-5H2
InChIKeyMJONHQHUVJXBRU-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.12
Rot. Bonds1

About 4-chloro-6-piperidin-1-ylpyrimidine

4-chloro-6-piperidin-1-ylpyrimidine (PubChem CID 597870) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 4-chloro-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-piperidin-1-ylpyrimidine
PubChem CID597870
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name4-chloro-6-piperidin-1-ylpyrimidine
SMILESClc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C9H12ClN3/c10-8-6-9(12-7-11-8)13-4-2-1-3-5-13/h6-7H,1-5H2
InChIKeyMJONHQHUVJXBRU-UHFFFAOYSA-N
XLogP2.12
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-piperidin-1-ylpyrimidine 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-piperidin-1-ylpyrimidine?
The IUPAC name of 4-chloro-6-piperidin-1-ylpyrimidine (CID 597870) is 4-chloro-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-chloro-6-piperidin-1-ylpyrimidine is Clc1cc(N2CCCCC2)ncn1.
What is the InChIKey of 4-chloro-6-piperidin-1-ylpyrimidine?
The InChIKey is MJONHQHUVJXBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c10-8-6-9(12-7-11-8)13-4-2-1-3-5-13/h6-7H,1-5H2.
What are the key properties of 4-chloro-6-piperidin-1-ylpyrimidine?
4-chloro-6-piperidin-1-ylpyrimidine has a molecular weight of 197.67 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 597870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).