2-methyl-5-(1-methylcyclohexyl)pyrimidine

C12H18N2 — CID 145419022

IUPAC2-methyl-5-(1-methylcyclohexyl)pyrimidine
SMILESCc1ncc(C2(C)CCCCC2)cn1
InChIInChI=1S/C12H18N2/c1-10-13-8-11(9-14-10)12(2)6-4-3-5-7-12/h8-9H,3-7H2,1-2H3
InChIKeyITJFAZURGHKAHC-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.01
Rot. Bonds1

About 2-methyl-5-(1-methylcyclohexyl)pyrimidine

2-methyl-5-(1-methylcyclohexyl)pyrimidine (PubChem CID 145419022) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methyl-5-(1-methylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name2-methyl-5-(1-methylcyclohexyl)pyrimidine
PubChem CID145419022
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-methyl-5-(1-methylcyclohexyl)pyrimidine
SMILESCc1ncc(C2(C)CCCCC2)cn1
InChIInChI=1S/C12H18N2/c1-10-13-8-11(9-14-10)12(2)6-4-3-5-7-12/h8-9H,3-7H2,1-2H3
InChIKeyITJFAZURGHKAHC-UHFFFAOYSA-N
XLogP3.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpyrimidin-5-yl)cyclopropan-1-amine
CID 82417542
5-methyl-2-(1-methylcyclononyl)-1,3-thiazole
CID 130179511
ethane;4-(1-methylcyclopentyl)pyridine
CID 144662823
5-(1-methylcyclopropyl)pyrimidine
CID 134554594
3-fluoro-5-(1-methylcyclopentyl)pyridine
CID 143500095
methane;(1-methylcyclopentyl)benzene
CID 143499824
1-(6-methyl-3-pyridinyl)cycloheptan-1-amine
CID 63155403
2,7-bis(1-methylcyclohexyl)anthracene
CID 58371033
2-(difluoromethyl)-5-(4,4-difluoro-1-methylcyclohexyl)pyrimidine
CID 141403698
5-methyl-2-(1-methylcyclobutyl)pyridine
CID 121401112
2-(1-methylcyclooctyl)-1H-imidazole
CID 90990454
5-(1-methylcyclopentyl)-1,3-oxazol-2-amine
CID 115013183

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methylcyclohexyl)pyrimidine?
The IUPAC name of 2-methyl-5-(1-methylcyclohexyl)pyrimidine (CID 145419022) is 2-methyl-5-(1-methylcyclohexyl)pyrimidine.
What is the SMILES notation for 2-methyl-5-(1-methylcyclohexyl)pyrimidine?
The canonical SMILES for 2-methyl-5-(1-methylcyclohexyl)pyrimidine is Cc1ncc(C2(C)CCCCC2)cn1.
What is the InChIKey of 2-methyl-5-(1-methylcyclohexyl)pyrimidine?
The InChIKey is ITJFAZURGHKAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-13-8-11(9-14-10)12(2)6-4-3-5-7-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-methyl-5-(1-methylcyclohexyl)pyrimidine?
2-methyl-5-(1-methylcyclohexyl)pyrimidine has a molecular weight of 190.29 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methylcyclohexyl)pyrimidine is sourced from PubChem (CID 145419022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).