2,4-dichloro-6-[(E)-2-phenylethenyl]pyrimidine

C12H8Cl2N2 — CID 11064861

IUPAC2,4-dichloro-6-[(E)-2-phenylethenyl]pyrimidine
SMILESClc1cc(/C=C/c2ccccc2)nc(Cl)n1
InChIInChI=1S/C12H8Cl2N2/c13-11-8-10(15-12(14)16-11)7-6-9-4-2-1-3-5-9/h1-8H/b7-6+
InChIKeySYZFCAONBKAKMU-VOTSOKGWSA-N
MW251.12 g/mol
LogP3.95
Rot. Bonds2

About 2,4-dichloro-6-[(E)-2-phenylethenyl]pyrimidine

2,4-dichloro-6-[(E)-2-phenylethenyl]pyrimidine (PubChem CID 11064861) has the molecular formula C12H8Cl2N2 and a molecular weight of 251.12 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-2-phenylethenyl]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-2-phenylethenyl]pyrimidine
PubChem CID11064861
Molecular FormulaC12H8Cl2N2
Molecular Weight251.12 g/mol
Exact Mass250.01
IUPAC Name2,4-dichloro-6-[(E)-2-phenylethenyl]pyrimidine
SMILESClc1cc(/C=C/c2ccccc2)nc(Cl)n1
InChIInChI=1S/C12H8Cl2N2/c13-11-8-10(15-12(14)16-11)7-6-9-4-2-1-3-5-9/h1-8H/b7-6+
InChIKeySYZFCAONBKAKMU-VOTSOKGWSA-N
XLogP3.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(E)-2-phenylethenyl]pyrimidine?
The IUPAC name of 2,4-dichloro-6-[(E)-2-phenylethenyl]pyrimidine (CID 11064861) is 2,4-dichloro-6-[(E)-2-phenylethenyl]pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-[(E)-2-phenylethenyl]pyrimidine?
The canonical SMILES for 2,4-dichloro-6-[(E)-2-phenylethenyl]pyrimidine is Clc1cc(/C=C/c2ccccc2)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-[(E)-2-phenylethenyl]pyrimidine?
The InChIKey is SYZFCAONBKAKMU-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H8Cl2N2/c13-11-8-10(15-12(14)16-11)7-6-9-4-2-1-3-5-9/h1-8H/b7-6+.
What are the key properties of 2,4-dichloro-6-[(E)-2-phenylethenyl]pyrimidine?
2,4-dichloro-6-[(E)-2-phenylethenyl]pyrimidine has a molecular weight of 251.12 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-2-phenylethenyl]pyrimidine is sourced from PubChem (CID 11064861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).