4-(3,4-dichlorophenyl)-2-(2-methylpropyl)pyrimidine

C14H14Cl2N2 — CID 71282614

IUPAC4-(3,4-dichlorophenyl)-2-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1nccc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H14Cl2N2/c1-9(2)7-14-17-6-5-13(18-14)10-3-4-11(15)12(16)8-10/h3-6,8-9H,7H2,1-2H3
InChIKeyBLYYLHPCEHXSOV-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.65
Rot. Bonds3

About 4-(3,4-dichlorophenyl)-2-(2-methylpropyl)pyrimidine

4-(3,4-dichlorophenyl)-2-(2-methylpropyl)pyrimidine (PubChem CID 71282614) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-2-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-2-(2-methylpropyl)pyrimidine
PubChem CID71282614
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name4-(3,4-dichlorophenyl)-2-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1nccc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H14Cl2N2/c1-9(2)7-14-17-6-5-13(18-14)10-3-4-11(15)12(16)8-10/h3-6,8-9H,7H2,1-2H3
InChIKeyBLYYLHPCEHXSOV-UHFFFAOYSA-N
XLogP4.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-2-(2-methylpropyl)pyrimidine?
The IUPAC name of 4-(3,4-dichlorophenyl)-2-(2-methylpropyl)pyrimidine (CID 71282614) is 4-(3,4-dichlorophenyl)-2-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-2-(2-methylpropyl)pyrimidine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-2-(2-methylpropyl)pyrimidine is CC(C)Cc1nccc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-2-(2-methylpropyl)pyrimidine?
The InChIKey is BLYYLHPCEHXSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-9(2)7-14-17-6-5-13(18-14)10-3-4-11(15)12(16)8-10/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 4-(3,4-dichlorophenyl)-2-(2-methylpropyl)pyrimidine?
4-(3,4-dichlorophenyl)-2-(2-methylpropyl)pyrimidine has a molecular weight of 281.19 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-2-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 71282614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).