2-(4-methylcyclohexen-1-yl)-1,4-dihydropyrimidine

C11H16N2 — CID 123240186

IUPAC2-(4-methylcyclohexen-1-yl)-1,4-dihydropyrimidine
SMILESCC1CC=C(C2=NCC=CN2)CC1
InChIInChI=1S/C11H16N2/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11/h2,5,7,9H,3-4,6,8H2,1H3,(H,12,13)
InChIKeyRCHAFIVEGSBWFG-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.25
Rot. Bonds1

About 2-(4-methylcyclohexen-1-yl)-1,4-dihydropyrimidine

2-(4-methylcyclohexen-1-yl)-1,4-dihydropyrimidine (PubChem CID 123240186) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-(4-methylcyclohexen-1-yl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-(4-methylcyclohexen-1-yl)-1,4-dihydropyrimidine
PubChem CID123240186
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-(4-methylcyclohexen-1-yl)-1,4-dihydropyrimidine
SMILESCC1CC=C(C2=NCC=CN2)CC1
InChIInChI=1S/C11H16N2/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11/h2,5,7,9H,3-4,6,8H2,1H3,(H,12,13)
InChIKeyRCHAFIVEGSBWFG-UHFFFAOYSA-N
XLogP2.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexen-1-yl)-1,4-dihydropyrimidine?
The IUPAC name of 2-(4-methylcyclohexen-1-yl)-1,4-dihydropyrimidine (CID 123240186) is 2-(4-methylcyclohexen-1-yl)-1,4-dihydropyrimidine.
What is the SMILES notation for 2-(4-methylcyclohexen-1-yl)-1,4-dihydropyrimidine?
The canonical SMILES for 2-(4-methylcyclohexen-1-yl)-1,4-dihydropyrimidine is CC1CC=C(C2=NCC=CN2)CC1.
What is the InChIKey of 2-(4-methylcyclohexen-1-yl)-1,4-dihydropyrimidine?
The InChIKey is RCHAFIVEGSBWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11/h2,5,7,9H,3-4,6,8H2,1H3,(H,12,13).
What are the key properties of 2-(4-methylcyclohexen-1-yl)-1,4-dihydropyrimidine?
2-(4-methylcyclohexen-1-yl)-1,4-dihydropyrimidine has a molecular weight of 176.26 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexen-1-yl)-1,4-dihydropyrimidine is sourced from PubChem (CID 123240186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).