4,6-dichloro-5-(2-chlorophenyl)-2-(2-methylcyclopropyl)pyrimidine

C14H11Cl3N2 — CID 79439122

IUPAC4,6-dichloro-5-(2-chlorophenyl)-2-(2-methylcyclopropyl)pyrimidine
SMILESCC1CC1c1nc(Cl)c(-c2ccccc2Cl)c(Cl)n1
InChIInChI=1S/C14H11Cl3N2/c1-7-6-9(7)14-18-12(16)11(13(17)19-14)8-4-2-3-5-10(8)15/h2-5,7,9H,6H2,1H3
InChIKeyCPKBCIWNGQZPGT-UHFFFAOYSA-N
MW313.62 g/mol
LogP5.23
Rot. Bonds2

About 4,6-dichloro-5-(2-chlorophenyl)-2-(2-methylcyclopropyl)pyrimidine

4,6-dichloro-5-(2-chlorophenyl)-2-(2-methylcyclopropyl)pyrimidine (PubChem CID 79439122) has the molecular formula C14H11Cl3N2 and a molecular weight of 313.62 g/mol. Its IUPAC name is 4,6-dichloro-5-(2-chlorophenyl)-2-(2-methylcyclopropyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(2-chlorophenyl)-2-(2-methylcyclopropyl)pyrimidine
PubChem CID79439122
Molecular FormulaC14H11Cl3N2
Molecular Weight313.62 g/mol
Exact Mass312.00
IUPAC Name4,6-dichloro-5-(2-chlorophenyl)-2-(2-methylcyclopropyl)pyrimidine
SMILESCC1CC1c1nc(Cl)c(-c2ccccc2Cl)c(Cl)n1
InChIInChI=1S/C14H11Cl3N2/c1-7-6-9(7)14-18-12(16)11(13(17)19-14)8-4-2-3-5-10(8)15/h2-5,7,9H,6H2,1H3
InChIKeyCPKBCIWNGQZPGT-UHFFFAOYSA-N
XLogP5.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.62
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(2-chlorophenyl)-2-(2-methylcyclopropyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(2-chlorophenyl)-2-(2-methylcyclopropyl)pyrimidine (CID 79439122) is 4,6-dichloro-5-(2-chlorophenyl)-2-(2-methylcyclopropyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(2-chlorophenyl)-2-(2-methylcyclopropyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(2-chlorophenyl)-2-(2-methylcyclopropyl)pyrimidine is CC1CC1c1nc(Cl)c(-c2ccccc2Cl)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-(2-chlorophenyl)-2-(2-methylcyclopropyl)pyrimidine?
The InChIKey is CPKBCIWNGQZPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2/c1-7-6-9(7)14-18-12(16)11(13(17)19-14)8-4-2-3-5-10(8)15/h2-5,7,9H,6H2,1H3.
What are the key properties of 4,6-dichloro-5-(2-chlorophenyl)-2-(2-methylcyclopropyl)pyrimidine?
4,6-dichloro-5-(2-chlorophenyl)-2-(2-methylcyclopropyl)pyrimidine has a molecular weight of 313.62 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(2-chlorophenyl)-2-(2-methylcyclopropyl)pyrimidine is sourced from PubChem (CID 79439122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).