2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine

C15H17ClN2 — CID 116893741

IUPAC2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine
SMILESCc1cc(-c2ccc(C)c(C)c2)nc(CCCl)n1
InChIInChI=1S/C15H17ClN2/c1-10-4-5-13(8-11(10)2)14-9-12(3)17-15(18-14)6-7-16/h4-5,8-9H,6-7H2,1-3H3
InChIKeyRBGKWZUUXFIYLC-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.85
Rot. Bonds3

About 2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine

2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine (PubChem CID 116893741) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine.

Molecular Properties

Compound Name2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine
PubChem CID116893741
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine
SMILESCc1cc(-c2ccc(C)c(C)c2)nc(CCCl)n1
InChIInChI=1S/C15H17ClN2/c1-10-4-5-13(8-11(10)2)14-9-12(3)17-15(18-14)6-7-16/h4-5,8-9H,6-7H2,1-3H3
InChIKeyRBGKWZUUXFIYLC-UHFFFAOYSA-N
XLogP3.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylpyrimidine
CID 116893757
4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 62481951
2-(chloromethyl)-4-(3,4-difluorophenyl)-6-methylpyrimidine
CID 116893696
2-(2-chloroethyl)-4-(4-fluoro-3-methylphenyl)pyrimidine
CID 116899332
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine
CID 116892641
2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol
CID 116895699
2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol
CID 116895841
3-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]propanoic acid
CID 98020477
[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol
CID 116896010
[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine
CID 116896049
4-tert-butyl-2-(2-chloroethyl)-6-methylpyrimidine
CID 116893734
2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]ethanol
CID 116899537

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine?
The IUPAC name of 2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine (CID 116893741) is 2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine.
What is the SMILES notation for 2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine?
The canonical SMILES for 2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine is Cc1cc(-c2ccc(C)c(C)c2)nc(CCCl)n1.
What is the InChIKey of 2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine?
The InChIKey is RBGKWZUUXFIYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-10-4-5-13(8-11(10)2)14-9-12(3)17-15(18-14)6-7-16/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine?
2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine has a molecular weight of 260.77 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine is sourced from PubChem (CID 116893741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).