4,6-dichloro-5-(2-chloro-6-phenylpyrimidin-4-yl)pyrimidine

C14H7Cl3N4 — CID 630723

IUPAC4,6-dichloro-5-(2-chloro-6-phenylpyrimidin-4-yl)pyrimidine
SMILESClc1nc(-c2ccccc2)cc(-c2c(Cl)ncnc2Cl)n1
InChIInChI=1S/C14H7Cl3N4/c15-12-11(13(16)19-7-18-12)10-6-9(20-14(17)21-10)8-4-2-1-3-5-8/h1-7H
InChIKeyXCTTWVSSTMNUNV-UHFFFAOYSA-N
MW337.60 g/mol
LogP4.56
Rot. Bonds2

About 4,6-dichloro-5-(2-chloro-6-phenylpyrimidin-4-yl)pyrimidine

4,6-dichloro-5-(2-chloro-6-phenylpyrimidin-4-yl)pyrimidine (PubChem CID 630723) has the molecular formula C14H7Cl3N4 and a molecular weight of 337.60 g/mol. Its IUPAC name is 4,6-dichloro-5-(2-chloro-6-phenylpyrimidin-4-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(2-chloro-6-phenylpyrimidin-4-yl)pyrimidine
PubChem CID630723
Molecular FormulaC14H7Cl3N4
Molecular Weight337.60 g/mol
Exact Mass335.97
IUPAC Name4,6-dichloro-5-(2-chloro-6-phenylpyrimidin-4-yl)pyrimidine
SMILESClc1nc(-c2ccccc2)cc(-c2c(Cl)ncnc2Cl)n1
InChIInChI=1S/C14H7Cl3N4/c15-12-11(13(16)19-7-18-12)10-6-9(20-14(17)21-10)8-4-2-1-3-5-8/h1-7H
InChIKeyXCTTWVSSTMNUNV-UHFFFAOYSA-N
XLogP4.56
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(2-chloro-6-phenylpyrimidin-4-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(2-chloro-6-phenylpyrimidin-4-yl)pyrimidine (CID 630723) is 4,6-dichloro-5-(2-chloro-6-phenylpyrimidin-4-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(2-chloro-6-phenylpyrimidin-4-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(2-chloro-6-phenylpyrimidin-4-yl)pyrimidine is Clc1nc(-c2ccccc2)cc(-c2c(Cl)ncnc2Cl)n1.
What is the InChIKey of 4,6-dichloro-5-(2-chloro-6-phenylpyrimidin-4-yl)pyrimidine?
The InChIKey is XCTTWVSSTMNUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3N4/c15-12-11(13(16)19-7-18-12)10-6-9(20-14(17)21-10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 4,6-dichloro-5-(2-chloro-6-phenylpyrimidin-4-yl)pyrimidine?
4,6-dichloro-5-(2-chloro-6-phenylpyrimidin-4-yl)pyrimidine has a molecular weight of 337.60 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(2-chloro-6-phenylpyrimidin-4-yl)pyrimidine is sourced from PubChem (CID 630723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).