4,6-dichloro-5-methyl-2-(3-methylcyclohexyl)pyrimidine

C12H16Cl2N2 — CID 63611976

IUPAC4,6-dichloro-5-methyl-2-(3-methylcyclohexyl)pyrimidine
SMILESCc1c(Cl)nc(C2CCCC(C)C2)nc1Cl
InChIInChI=1S/C12H16Cl2N2/c1-7-4-3-5-9(6-7)12-15-10(13)8(2)11(14)16-12/h7,9H,3-6H2,1-2H3
InChIKeyBLTLINQOESCTIY-UHFFFAOYSA-N
MW259.18 g/mol
LogP4.39
Rot. Bonds1

About 4,6-dichloro-5-methyl-2-(3-methylcyclohexyl)pyrimidine

4,6-dichloro-5-methyl-2-(3-methylcyclohexyl)pyrimidine (PubChem CID 63611976) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 4,6-dichloro-5-methyl-2-(3-methylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-methyl-2-(3-methylcyclohexyl)pyrimidine
PubChem CID63611976
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name4,6-dichloro-5-methyl-2-(3-methylcyclohexyl)pyrimidine
SMILESCc1c(Cl)nc(C2CCCC(C)C2)nc1Cl
InChIInChI=1S/C12H16Cl2N2/c1-7-4-3-5-9(6-7)12-15-10(13)8(2)11(14)16-12/h7,9H,3-6H2,1-2H3
InChIKeyBLTLINQOESCTIY-UHFFFAOYSA-N
XLogP4.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine
CID 63611823
4,6-dichloro-5-cyclopentyl-2-(3-methylcyclopentyl)pyrimidine
CID 112569446
4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine
CID 63405027
5,6-dimethyl-2-(3-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 61025564
3-(4,6-dichloro-5-methylpyrimidin-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 112680582
5-bromo-2-(3-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 66301275
5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine
CID 66307658
4,6-dichloro-2-(3-methylcyclopentyl)-5-phenylpyrimidine
CID 65430266
5-iodo-3-(3-methylcyclohexyl)-1,2,4-thiadiazole
CID 102618366
N-[2-[4,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62746343
4-chloro-5-iodo-2-(3-methylcyclopentyl)-6-propylpyrimidine
CID 66295009
6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414813

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-methyl-2-(3-methylcyclohexyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-methyl-2-(3-methylcyclohexyl)pyrimidine (CID 63611976) is 4,6-dichloro-5-methyl-2-(3-methylcyclohexyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-methyl-2-(3-methylcyclohexyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-methyl-2-(3-methylcyclohexyl)pyrimidine is Cc1c(Cl)nc(C2CCCC(C)C2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-methyl-2-(3-methylcyclohexyl)pyrimidine?
The InChIKey is BLTLINQOESCTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c1-7-4-3-5-9(6-7)12-15-10(13)8(2)11(14)16-12/h7,9H,3-6H2,1-2H3.
What are the key properties of 4,6-dichloro-5-methyl-2-(3-methylcyclohexyl)pyrimidine?
4,6-dichloro-5-methyl-2-(3-methylcyclohexyl)pyrimidine has a molecular weight of 259.18 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-methyl-2-(3-methylcyclohexyl)pyrimidine is sourced from PubChem (CID 63611976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).