4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine

C11H16ClN3 — CID 95804428

IUPAC4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine
SMILESCc1cc(Cl)nc([C@H]2CCCCN2C)n1
InChIInChI=1S/C11H16ClN3/c1-8-7-10(12)14-11(13-8)9-5-3-4-6-15(9)2/h7,9H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyWBTVNMZPILFKRX-SECBINFHSA-N
MW225.72 g/mol
LogP2.60
Rot. Bonds1

About 4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine

4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine (PubChem CID 95804428) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine
PubChem CID95804428
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine
SMILESCc1cc(Cl)nc([C@H]2CCCCN2C)n1
InChIInChI=1S/C11H16ClN3/c1-8-7-10(12)14-11(13-8)9-5-3-4-6-15(9)2/h7,9H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyWBTVNMZPILFKRX-SECBINFHSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine (CID 95804428) is 4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine is Cc1cc(Cl)nc([C@H]2CCCCN2C)n1.
What is the InChIKey of 4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine?
The InChIKey is WBTVNMZPILFKRX-SECBINFHSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-8-7-10(12)14-11(13-8)9-5-3-4-6-15(9)2/h7,9H,3-6H2,1-2H3/t9-/m1/s1.
What are the key properties of 4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine?
4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine has a molecular weight of 225.72 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine is sourced from PubChem (CID 95804428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).