2-chloro-4-methyl-5-piperidin-2-ylpyrimidine

C10H14ClN3 — CID 115070172

IUPAC2-chloro-4-methyl-5-piperidin-2-ylpyrimidine
SMILESCc1nc(Cl)ncc1C1CCCCN1
InChIInChI=1S/C10H14ClN3/c1-7-8(6-13-10(11)14-7)9-4-2-3-5-12-9/h6,9,12H,2-5H2,1H3
InChIKeyOMLCVQKPOREMGJ-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.25
Rot. Bonds1

About 2-chloro-4-methyl-5-piperidin-2-ylpyrimidine

2-chloro-4-methyl-5-piperidin-2-ylpyrimidine (PubChem CID 115070172) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 2-chloro-4-methyl-5-piperidin-2-ylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-methyl-5-piperidin-2-ylpyrimidine
PubChem CID115070172
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name2-chloro-4-methyl-5-piperidin-2-ylpyrimidine
SMILESCc1nc(Cl)ncc1C1CCCCN1
InChIInChI=1S/C10H14ClN3/c1-7-8(6-13-10(11)14-7)9-4-2-3-5-12-9/h6,9,12H,2-5H2,1H3
InChIKeyOMLCVQKPOREMGJ-UHFFFAOYSA-N
XLogP2.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine
CID 115070130
2,4-dichloro-5-[(2R)-piperidin-2-yl]pyridine
CID 130788142
2-chloro-5-[(2R)-piperidin-2-yl]pyridin-4-amine
CID 130783796
5-methyl-2-piperidin-2-ylpyrimidine
CID 63317257
2,6-dichloro-3-[(2S)-piperidin-2-yl]pyridine
CID 130612938
2-methyl-6-piperidin-1-yl-3-piperidin-2-ylpyridine
CID 102543209
2-(3-chloro-2-methylphenyl)piperidine
CID 83392215
2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine
CID 131072200
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194804
4-methyl-5-piperidin-2-yl-1,3-thiazole
CID 56607472
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride
CID 164890613
2-(3-chloro-4-pyridinyl)azepane
CID 4542495

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-5-piperidin-2-ylpyrimidine?
The IUPAC name of 2-chloro-4-methyl-5-piperidin-2-ylpyrimidine (CID 115070172) is 2-chloro-4-methyl-5-piperidin-2-ylpyrimidine.
What is the SMILES notation for 2-chloro-4-methyl-5-piperidin-2-ylpyrimidine?
The canonical SMILES for 2-chloro-4-methyl-5-piperidin-2-ylpyrimidine is Cc1nc(Cl)ncc1C1CCCCN1.
What is the InChIKey of 2-chloro-4-methyl-5-piperidin-2-ylpyrimidine?
The InChIKey is OMLCVQKPOREMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-7-8(6-13-10(11)14-7)9-4-2-3-5-12-9/h6,9,12H,2-5H2,1H3.
What are the key properties of 2-chloro-4-methyl-5-piperidin-2-ylpyrimidine?
2-chloro-4-methyl-5-piperidin-2-ylpyrimidine has a molecular weight of 211.70 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-5-piperidin-2-ylpyrimidine is sourced from PubChem (CID 115070172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).