4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine

C16H17ClN2 — CID 63353337

IUPAC4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine
SMILESCc1cc(C)c(-c2nc(Cl)cc(C3CC3)n2)c(C)c1
InChIInChI=1S/C16H17ClN2/c1-9-6-10(2)15(11(3)7-9)16-18-13(12-4-5-12)8-14(17)19-16/h6-8,12H,4-5H2,1-3H3
InChIKeyJZGYPFRLWXQSHE-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.60
Rot. Bonds2

About 4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine

4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine (PubChem CID 63353337) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine
PubChem CID63353337
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine
SMILESCc1cc(C)c(-c2nc(Cl)cc(C3CC3)n2)c(C)c1
InChIInChI=1S/C16H17ClN2/c1-9-6-10(2)15(11(3)7-9)16-18-13(12-4-5-12)8-14(17)19-16/h6-8,12H,4-5H2,1-3H3
InChIKeyJZGYPFRLWXQSHE-UHFFFAOYSA-N
XLogP4.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine (CID 63353337) is 4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine is Cc1cc(C)c(-c2nc(Cl)cc(C3CC3)n2)c(C)c1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine?
The InChIKey is JZGYPFRLWXQSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-9-6-10(2)15(11(3)7-9)16-18-13(12-4-5-12)8-14(17)19-16/h6-8,12H,4-5H2,1-3H3.
What are the key properties of 4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine?
4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine has a molecular weight of 272.78 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine is sourced from PubChem (CID 63353337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).