4-cyclohexa-1,3-dien-1-yl-6-methyl-2-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyrimidine

C18H22N2 — CID 126656374

IUPAC4-cyclohexa-1,3-dien-1-yl-6-methyl-2-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyrimidine
SMILESCC1=CC(C2=CC=CCC2)=NC(C2(C)C=CC=CC2)N1
InChIInChI=1S/C18H22N2/c1-14-13-16(15-9-5-3-6-10-15)20-17(19-14)18(2)11-7-4-8-12-18/h3-5,7-9,11,13,17,19H,6,10,12H2,1-2H3
InChIKeyMEICFRJVWPHCDH-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.06
Rot. Bonds2

About 4-cyclohexa-1,3-dien-1-yl-6-methyl-2-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyrimidine

4-cyclohexa-1,3-dien-1-yl-6-methyl-2-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyrimidine (PubChem CID 126656374) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yl-6-methyl-2-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyrimidine.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-yl-6-methyl-2-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyrimidine
PubChem CID126656374
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name4-cyclohexa-1,3-dien-1-yl-6-methyl-2-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyrimidine
SMILESCC1=CC(C2=CC=CCC2)=NC(C2(C)C=CC=CC2)N1
InChIInChI=1S/C18H22N2/c1-14-13-16(15-9-5-3-6-10-15)20-17(19-14)18(2)11-7-4-8-12-18/h3-5,7-9,11,13,17,19H,6,10,12H2,1-2H3
InChIKeyMEICFRJVWPHCDH-UHFFFAOYSA-N
XLogP4.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,3-dien-1-yl-6-methyl-2-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyrimidine?
The IUPAC name of 4-cyclohexa-1,3-dien-1-yl-6-methyl-2-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyrimidine (CID 126656374) is 4-cyclohexa-1,3-dien-1-yl-6-methyl-2-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyrimidine.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yl-6-methyl-2-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyrimidine?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-yl-6-methyl-2-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyrimidine is CC1=CC(C2=CC=CCC2)=NC(C2(C)C=CC=CC2)N1.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-yl-6-methyl-2-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyrimidine?
The InChIKey is MEICFRJVWPHCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-14-13-16(15-9-5-3-6-10-15)20-17(19-14)18(2)11-7-4-8-12-18/h3-5,7-9,11,13,17,19H,6,10,12H2,1-2H3.
What are the key properties of 4-cyclohexa-1,3-dien-1-yl-6-methyl-2-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyrimidine?
4-cyclohexa-1,3-dien-1-yl-6-methyl-2-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyrimidine has a molecular weight of 266.39 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-yl-6-methyl-2-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyrimidine is sourced from PubChem (CID 126656374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).