2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine

C11H16ClN3 — CID 63391936

IUPAC2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CCCC(Cl)C2)n1
InChIInChI=1S/C11H16ClN3/c1-8-6-9(2)14-11(13-8)15-5-3-4-10(12)7-15/h6,10H,3-5,7H2,1-2H3
InChIKeyPDEIXFRMPUPGPF-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.30
Rot. Bonds1

About 2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine

2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine (PubChem CID 63391936) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine
PubChem CID63391936
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CCCC(Cl)C2)n1
InChIInChI=1S/C11H16ClN3/c1-8-6-9(2)14-11(13-8)15-5-3-4-10(12)7-15/h6,10H,3-5,7H2,1-2H3
InChIKeyPDEIXFRMPUPGPF-UHFFFAOYSA-N
XLogP2.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromopiperidin-1-yl)-4,6-dimethylpyrimidine
CID 80673034
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
1-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylpiperidine-3-carboxamide
CID 47473849
1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904
1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-amine;hydrochloride
CID 71638450
(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-amine
CID 71638298
(3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436254
4,6-dimethyl-2-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]pyrimidine
CID 124959792
[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 86329185
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 7436330
4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine
CID 110257012
1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 71701314

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine?
The IUPAC name of 2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine (CID 63391936) is 2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine is Cc1cc(C)nc(N2CCCC(Cl)C2)n1.
What is the InChIKey of 2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine?
The InChIKey is PDEIXFRMPUPGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-8-6-9(2)14-11(13-8)15-5-3-4-10(12)7-15/h6,10H,3-5,7H2,1-2H3.
What are the key properties of 2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine?
2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine has a molecular weight of 225.72 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine is sourced from PubChem (CID 63391936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).