5-chloro-2-cyclohexyl-4-methylpyrimidine

C11H15ClN2 — CID 54061175

IUPAC5-chloro-2-cyclohexyl-4-methylpyrimidine
SMILESCc1nc(C2CCCCC2)ncc1Cl
InChIInChI=1S/C11H15ClN2/c1-8-10(12)7-13-11(14-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyRWZHSQXZCLJWGN-UHFFFAOYSA-N
MW210.71 g/mol
LogP3.49
Rot. Bonds1

About 5-chloro-2-cyclohexyl-4-methylpyrimidine

5-chloro-2-cyclohexyl-4-methylpyrimidine (PubChem CID 54061175) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 5-chloro-2-cyclohexyl-4-methylpyrimidine.

Molecular Properties

Compound Name5-chloro-2-cyclohexyl-4-methylpyrimidine
PubChem CID54061175
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name5-chloro-2-cyclohexyl-4-methylpyrimidine
SMILESCc1nc(C2CCCCC2)ncc1Cl
InChIInChI=1S/C11H15ClN2/c1-8-10(12)7-13-11(14-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyRWZHSQXZCLJWGN-UHFFFAOYSA-N
XLogP3.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12600385
CID 19937170
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CID 22008863
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CID 54208297
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CID 54332877
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CID 54383530
CID 54383530
CID 54490860
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CID 70181267
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclohexyl-4-methylpyrimidine?
The IUPAC name of 5-chloro-2-cyclohexyl-4-methylpyrimidine (CID 54061175) is 5-chloro-2-cyclohexyl-4-methylpyrimidine.
What is the SMILES notation for 5-chloro-2-cyclohexyl-4-methylpyrimidine?
The canonical SMILES for 5-chloro-2-cyclohexyl-4-methylpyrimidine is Cc1nc(C2CCCCC2)ncc1Cl.
What is the InChIKey of 5-chloro-2-cyclohexyl-4-methylpyrimidine?
The InChIKey is RWZHSQXZCLJWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-8-10(12)7-13-11(14-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3.
What are the key properties of 5-chloro-2-cyclohexyl-4-methylpyrimidine?
5-chloro-2-cyclohexyl-4-methylpyrimidine has a molecular weight of 210.71 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclohexyl-4-methylpyrimidine is sourced from PubChem (CID 54061175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).