4-chloro-6-[(1Z,3E)-1-chloro-4-phenylbuta-1,3-dienyl]-2-methylpyrimidine

C15H12Cl2N2 — CID 12572987

IUPAC4-chloro-6-[(1Z,3E)-1-chloro-4-phenylbuta-1,3-dienyl]-2-methylpyrimidine
SMILESCc1nc(Cl)cc(/C(Cl)=C/C=C/c2ccccc2)n1
InChIInChI=1S/C15H12Cl2N2/c1-11-18-14(10-15(17)19-11)13(16)9-5-8-12-6-3-2-4-7-12/h2-10H,1H3/b8-5+,13-9-
InChIKeyMEIWMDHQJVUOBM-GKPGWJKISA-N
MW291.18 g/mol
LogP4.73
Rot. Bonds3

About 4-chloro-6-[(1Z,3E)-1-chloro-4-phenylbuta-1,3-dienyl]-2-methylpyrimidine

4-chloro-6-[(1Z,3E)-1-chloro-4-phenylbuta-1,3-dienyl]-2-methylpyrimidine (PubChem CID 12572987) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 4-chloro-6-[(1Z,3E)-1-chloro-4-phenylbuta-1,3-dienyl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(1Z,3E)-1-chloro-4-phenylbuta-1,3-dienyl]-2-methylpyrimidine
PubChem CID12572987
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name4-chloro-6-[(1Z,3E)-1-chloro-4-phenylbuta-1,3-dienyl]-2-methylpyrimidine
SMILESCc1nc(Cl)cc(/C(Cl)=C/C=C/c2ccccc2)n1
InChIInChI=1S/C15H12Cl2N2/c1-11-18-14(10-15(17)19-11)13(16)9-5-8-12-6-3-2-4-7-12/h2-10H,1H3/b8-5+,13-9-
InChIKeyMEIWMDHQJVUOBM-GKPGWJKISA-N
XLogP4.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-phenylbuta-1,3-dien-1-ol
CID 88848274
[(2Z,4E)-1-chloro-5-phenylpenta-2,4-dien-2-yl]-trimethylsilane
CID 134978697
4-methylpenta-1,3-dienylbenzene
CID 3614395
trimethyl-(4-phenyl-1-trimethylsilylbuta-1,3-dienyl)silane
CID 71383002
1,4-bis[(1E,3E)-1-(4-methylphenyl)-4-phenylbuta-1,3-dienyl]benzene
CID 11730962
[(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene
CID 134853789
(5-chloro-4-methylpenta-1,3-dienyl)benzene
CID 79323612
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
CID 173138979
(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene
CID 618811
N-(1-chloro-4-phenylbuta-1,3-dienyl)aniline
CID 174492569

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(1Z,3E)-1-chloro-4-phenylbuta-1,3-dienyl]-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-[(1Z,3E)-1-chloro-4-phenylbuta-1,3-dienyl]-2-methylpyrimidine (CID 12572987) is 4-chloro-6-[(1Z,3E)-1-chloro-4-phenylbuta-1,3-dienyl]-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-[(1Z,3E)-1-chloro-4-phenylbuta-1,3-dienyl]-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-[(1Z,3E)-1-chloro-4-phenylbuta-1,3-dienyl]-2-methylpyrimidine is Cc1nc(Cl)cc(/C(Cl)=C/C=C/c2ccccc2)n1.
What is the InChIKey of 4-chloro-6-[(1Z,3E)-1-chloro-4-phenylbuta-1,3-dienyl]-2-methylpyrimidine?
The InChIKey is MEIWMDHQJVUOBM-GKPGWJKISA-N. The full InChI is InChI=1S/C15H12Cl2N2/c1-11-18-14(10-15(17)19-11)13(16)9-5-8-12-6-3-2-4-7-12/h2-10H,1H3/b8-5+,13-9-.
What are the key properties of 4-chloro-6-[(1Z,3E)-1-chloro-4-phenylbuta-1,3-dienyl]-2-methylpyrimidine?
4-chloro-6-[(1Z,3E)-1-chloro-4-phenylbuta-1,3-dienyl]-2-methylpyrimidine has a molecular weight of 291.18 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(1Z,3E)-1-chloro-4-phenylbuta-1,3-dienyl]-2-methylpyrimidine is sourced from PubChem (CID 12572987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).