2-methylidene-4,6-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine

C27H40N2 — CID 24742560

IUPAC2-methylidene-4,6-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine
SMILESC=C1N=C(/C=C/C2=C(C)CCCC2(C)C)CC(/C=C/C2=C(C)CCCC2(C)C)N1
InChIInChI=1S/C27H40N2/c1-19-10-8-16-26(4,5)24(19)14-12-22-18-23(29-21(3)28-22)13-15-25-20(2)11-9-17-27(25,6)7/h12-15,22,28H,3,8-11,16-18H2,1-2,4-7H3/b14-12+,15-13+
InChIKeyDEZIIHMBDJOUIH-QUMQEAAQSA-N
MW392.63 g/mol
LogP7.43
Rot. Bonds4

About 2-methylidene-4,6-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine

2-methylidene-4,6-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine (PubChem CID 24742560) has the molecular formula C27H40N2 and a molecular weight of 392.63 g/mol. Its IUPAC name is 2-methylidene-4,6-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name2-methylidene-4,6-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine
PubChem CID24742560
Molecular FormulaC27H40N2
Molecular Weight392.63 g/mol
Exact Mass392.32
IUPAC Name2-methylidene-4,6-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine
SMILESC=C1N=C(/C=C/C2=C(C)CCCC2(C)C)CC(/C=C/C2=C(C)CCCC2(C)C)N1
InChIInChI=1S/C27H40N2/c1-19-10-8-16-26(4,5)24(19)14-12-22-18-23(29-21(3)28-22)13-15-25-20(2)11-9-17-27(25,6)7/h12-15,22,28H,3,8-11,16-18H2,1-2,4-7H3/b14-12+,15-13+
InChIKeyDEZIIHMBDJOUIH-QUMQEAAQSA-N
XLogP7.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.63
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4,6-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine?
The IUPAC name of 2-methylidene-4,6-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine (CID 24742560) is 2-methylidene-4,6-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 2-methylidene-4,6-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine?
The canonical SMILES for 2-methylidene-4,6-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine is C=C1N=C(/C=C/C2=C(C)CCCC2(C)C)CC(/C=C/C2=C(C)CCCC2(C)C)N1.
What is the InChIKey of 2-methylidene-4,6-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine?
The InChIKey is DEZIIHMBDJOUIH-QUMQEAAQSA-N. The full InChI is InChI=1S/C27H40N2/c1-19-10-8-16-26(4,5)24(19)14-12-22-18-23(29-21(3)28-22)13-15-25-20(2)11-9-17-27(25,6)7/h12-15,22,28H,3,8-11,16-18H2,1-2,4-7H3/b14-12+,15-13+.
What are the key properties of 2-methylidene-4,6-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine?
2-methylidene-4,6-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine has a molecular weight of 392.63 g/mol, XLogP of 7.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4,6-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 24742560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).