4-chloro-2-(4-chloro-2-methylphenyl)-6-(2-methylpropyl)pyrimidine

C15H16Cl2N2 — CID 114076086

IUPAC4-chloro-2-(4-chloro-2-methylphenyl)-6-(2-methylpropyl)pyrimidine
SMILESCc1cc(Cl)ccc1-c1nc(Cl)cc(CC(C)C)n1
InChIInChI=1S/C15H16Cl2N2/c1-9(2)6-12-8-14(17)19-15(18-12)13-5-4-11(16)7-10(13)3/h4-5,7-9H,6H2,1-3H3
InChIKeyKQHZNDRFNCFFGB-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.96
Rot. Bonds3

About 4-chloro-2-(4-chloro-2-methylphenyl)-6-(2-methylpropyl)pyrimidine

4-chloro-2-(4-chloro-2-methylphenyl)-6-(2-methylpropyl)pyrimidine (PubChem CID 114076086) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 4-chloro-2-(4-chloro-2-methylphenyl)-6-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-chloro-2-methylphenyl)-6-(2-methylpropyl)pyrimidine
PubChem CID114076086
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name4-chloro-2-(4-chloro-2-methylphenyl)-6-(2-methylpropyl)pyrimidine
SMILESCc1cc(Cl)ccc1-c1nc(Cl)cc(CC(C)C)n1
InChIInChI=1S/C15H16Cl2N2/c1-9(2)6-12-8-14(17)19-15(18-12)13-5-4-11(16)7-10(13)3/h4-5,7-9H,6H2,1-3H3
InChIKeyKQHZNDRFNCFFGB-UHFFFAOYSA-N
XLogP4.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidine
CID 81313415
2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine
CID 81436026
4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine
CID 79421610
4-chloro-2-(2,2-dimethylcyclopropyl)-6-(2-methylpropyl)pyrimidine
CID 107925449
4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine
CID 43557888
7-bromo-4-chloro-8-methyl-2-(2-methylpropyl)quinoline
CID 107628134
2-(4-chloro-2-methoxyphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136873196
4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine
CID 121205787
4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene
CID 71243768
2-(2,4-dichlorophenyl)-6-ethylpyrimidin-4-amine
CID 62203520
4-chloro-2-cyclooctyl-6-(2-methylpropyl)pyrimidine
CID 80603227
2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine
CID 116893669

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chloro-2-methylphenyl)-6-(2-methylpropyl)pyrimidine?
The IUPAC name of 4-chloro-2-(4-chloro-2-methylphenyl)-6-(2-methylpropyl)pyrimidine (CID 114076086) is 4-chloro-2-(4-chloro-2-methylphenyl)-6-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-chloro-2-methylphenyl)-6-(2-methylpropyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(4-chloro-2-methylphenyl)-6-(2-methylpropyl)pyrimidine is Cc1cc(Cl)ccc1-c1nc(Cl)cc(CC(C)C)n1.
What is the InChIKey of 4-chloro-2-(4-chloro-2-methylphenyl)-6-(2-methylpropyl)pyrimidine?
The InChIKey is KQHZNDRFNCFFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-9(2)6-12-8-14(17)19-15(18-12)13-5-4-11(16)7-10(13)3/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 4-chloro-2-(4-chloro-2-methylphenyl)-6-(2-methylpropyl)pyrimidine?
4-chloro-2-(4-chloro-2-methylphenyl)-6-(2-methylpropyl)pyrimidine has a molecular weight of 295.21 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chloro-2-methylphenyl)-6-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 114076086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).