(2Z)-2-ethylidene-4-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-(2-methylpropyl)-1,6-dihydropyrimidine

C24H33FN2 — CID 138663310

IUPAC(2Z)-2-ethylidene-4-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-(2-methylpropyl)-1,6-dihydropyrimidine
SMILESC=C/C=C(\C=C/C)C1=C(C2C(F)=CC=CC2C)N(CC(C)C)/C(=C\C)NC1
InChIInChI=1S/C24H33FN2/c1-7-11-19(12-8-2)20-15-26-22(9-3)27(16-17(4)5)24(20)23-18(6)13-10-14-21(23)25/h7-14,17-18,23,26H,1,15-16H2,2-6H3/b12-8-,19-11+,22-9-
InChIKeyKFWCDMRZIIDEIK-WFPQYHSBSA-N
MW368.54 g/mol
LogP6.03
Rot. Bonds6

About (2Z)-2-ethylidene-4-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-(2-methylpropyl)-1,6-dihydropyrimidine

(2Z)-2-ethylidene-4-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-(2-methylpropyl)-1,6-dihydropyrimidine (PubChem CID 138663310) has the molecular formula C24H33FN2 and a molecular weight of 368.54 g/mol. Its IUPAC name is (2Z)-2-ethylidene-4-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-(2-methylpropyl)-1,6-dihydropyrimidine.

Molecular Properties

Compound Name(2Z)-2-ethylidene-4-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-(2-methylpropyl)-1,6-dihydropyrimidine
PubChem CID138663310
Molecular FormulaC24H33FN2
Molecular Weight368.54 g/mol
Exact Mass368.26
IUPAC Name(2Z)-2-ethylidene-4-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-(2-methylpropyl)-1,6-dihydropyrimidine
SMILESC=C/C=C(\C=C/C)C1=C(C2C(F)=CC=CC2C)N(CC(C)C)/C(=C\C)NC1
InChIInChI=1S/C24H33FN2/c1-7-11-19(12-8-2)20-15-26-22(9-3)27(16-17(4)5)24(20)23-18(6)13-10-14-21(23)25/h7-14,17-18,23,26H,1,15-16H2,2-6H3/b12-8-,19-11+,22-9-
InChIKeyKFWCDMRZIIDEIK-WFPQYHSBSA-N
XLogP6.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.54
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-4-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-(2-methylpropyl)-1,6-dihydropyrimidine?
The IUPAC name of (2Z)-2-ethylidene-4-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-(2-methylpropyl)-1,6-dihydropyrimidine (CID 138663310) is (2Z)-2-ethylidene-4-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-(2-methylpropyl)-1,6-dihydropyrimidine.
What is the SMILES notation for (2Z)-2-ethylidene-4-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-(2-methylpropyl)-1,6-dihydropyrimidine?
The canonical SMILES for (2Z)-2-ethylidene-4-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-(2-methylpropyl)-1,6-dihydropyrimidine is C=C/C=C(\C=C/C)C1=C(C2C(F)=CC=CC2C)N(CC(C)C)/C(=C\C)NC1.
What is the InChIKey of (2Z)-2-ethylidene-4-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-(2-methylpropyl)-1,6-dihydropyrimidine?
The InChIKey is KFWCDMRZIIDEIK-WFPQYHSBSA-N. The full InChI is InChI=1S/C24H33FN2/c1-7-11-19(12-8-2)20-15-26-22(9-3)27(16-17(4)5)24(20)23-18(6)13-10-14-21(23)25/h7-14,17-18,23,26H,1,15-16H2,2-6H3/b12-8-,19-11+,22-9-.
What are the key properties of (2Z)-2-ethylidene-4-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-(2-methylpropyl)-1,6-dihydropyrimidine?
(2Z)-2-ethylidene-4-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-(2-methylpropyl)-1,6-dihydropyrimidine has a molecular weight of 368.54 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-4-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-(2-methylpropyl)-1,6-dihydropyrimidine is sourced from PubChem (CID 138663310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).