2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine

C11H16ClN3 — CID 115070130

IUPAC2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine
SMILESCc1nc(Cl)nc(C)c1C1CCCCN1
InChIInChI=1S/C11H16ClN3/c1-7-10(8(2)15-11(12)14-7)9-5-3-4-6-13-9/h9,13H,3-6H2,1-2H3
InChIKeyVODMFLDOSGWIFZ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.56
Rot. Bonds1

About 2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine

2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine (PubChem CID 115070130) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine.

Molecular Properties

Compound Name2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine
PubChem CID115070130
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine
SMILESCc1nc(Cl)nc(C)c1C1CCCCN1
InChIInChI=1S/C11H16ClN3/c1-7-10(8(2)15-11(12)14-7)9-5-3-4-6-13-9/h9,13H,3-6H2,1-2H3
InChIKeyVODMFLDOSGWIFZ-UHFFFAOYSA-N
XLogP2.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-methyl-5-piperidin-2-ylpyrimidine
CID 115070172
2-(4-fluorophenyl)-4,6-dimethyl-5-piperidin-2-ylpyrimidine
CID 115069914
4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine
CID 115069923
4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine
CID 174788663
5-chloro-1,3-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole
CID 95970426
3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]-1H-pyrazole
CID 96633250
2,5-dimethyl-4-piperidin-2-yl-1,3-thiazole
CID 82399301
2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine
CID 84801356
2,3-dimethyl-6-piperidin-2-ylpyridine
CID 84662827
(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
CID 171195444
2-(5-methoxy-1,3-dimethylpyrazol-4-yl)piperidine
CID 131382411
4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol
CID 117352288

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine?
The IUPAC name of 2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine (CID 115070130) is 2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine.
What is the SMILES notation for 2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine?
The canonical SMILES for 2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine is Cc1nc(Cl)nc(C)c1C1CCCCN1.
What is the InChIKey of 2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine?
The InChIKey is VODMFLDOSGWIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-7-10(8(2)15-11(12)14-7)9-5-3-4-6-13-9/h9,13H,3-6H2,1-2H3.
What are the key properties of 2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine?
2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine has a molecular weight of 225.72 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine is sourced from PubChem (CID 115070130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).