2-(4-methylcyclohexyl)-1,4-dihydropyrimidine

C11H18N2 — CID 123843149

IUPAC2-(4-methylcyclohexyl)-1,4-dihydropyrimidine
SMILESCC1CCC(C2=NCC=CN2)CC1
InChIInChI=1S/C11H18N2/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11/h2,7,9-10H,3-6,8H2,1H3,(H,12,13)
InChIKeyHGBFXCYWYBETSD-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.33
Rot. Bonds1

About 2-(4-methylcyclohexyl)-1,4-dihydropyrimidine

2-(4-methylcyclohexyl)-1,4-dihydropyrimidine (PubChem CID 123843149) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-1,4-dihydropyrimidine
PubChem CID123843149
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-(4-methylcyclohexyl)-1,4-dihydropyrimidine
SMILESCC1CCC(C2=NCC=CN2)CC1
InChIInChI=1S/C11H18N2/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11/h2,7,9-10H,3-6,8H2,1H3,(H,12,13)
InChIKeyHGBFXCYWYBETSD-UHFFFAOYSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-1,4-dihydropyrimidine?
The IUPAC name of 2-(4-methylcyclohexyl)-1,4-dihydropyrimidine (CID 123843149) is 2-(4-methylcyclohexyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 2-(4-methylcyclohexyl)-1,4-dihydropyrimidine?
The canonical SMILES for 2-(4-methylcyclohexyl)-1,4-dihydropyrimidine is CC1CCC(C2=NCC=CN2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-1,4-dihydropyrimidine?
The InChIKey is HGBFXCYWYBETSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11/h2,7,9-10H,3-6,8H2,1H3,(H,12,13).
What are the key properties of 2-(4-methylcyclohexyl)-1,4-dihydropyrimidine?
2-(4-methylcyclohexyl)-1,4-dihydropyrimidine has a molecular weight of 178.28 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 123843149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).