2,4-dichloro-6-[(3,5-dimethylphenyl)methyl]-5-propan-2-ylpyrimidine

C16H18Cl2N2 — CID 10566804

IUPAC2,4-dichloro-6-[(3,5-dimethylphenyl)methyl]-5-propan-2-ylpyrimidine
SMILESCc1cc(C)cc(Cc2nc(Cl)nc(Cl)c2C(C)C)c1
InChIInChI=1S/C16H18Cl2N2/c1-9(2)14-13(19-16(18)20-15(14)17)8-12-6-10(3)5-11(4)7-12/h5-7,9H,8H2,1-4H3
InChIKeyJPIPEDLQJLOKFI-UHFFFAOYSA-N
MW309.24 g/mol
LogP5.11
Rot. Bonds3

About 2,4-dichloro-6-[(3,5-dimethylphenyl)methyl]-5-propan-2-ylpyrimidine

2,4-dichloro-6-[(3,5-dimethylphenyl)methyl]-5-propan-2-ylpyrimidine (PubChem CID 10566804) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 2,4-dichloro-6-[(3,5-dimethylphenyl)methyl]-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-[(3,5-dimethylphenyl)methyl]-5-propan-2-ylpyrimidine
PubChem CID10566804
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name2,4-dichloro-6-[(3,5-dimethylphenyl)methyl]-5-propan-2-ylpyrimidine
SMILESCc1cc(C)cc(Cc2nc(Cl)nc(Cl)c2C(C)C)c1
InChIInChI=1S/C16H18Cl2N2/c1-9(2)14-13(19-16(18)20-15(14)17)8-12-6-10(3)5-11(4)7-12/h5-7,9H,8H2,1-4H3
InChIKeyJPIPEDLQJLOKFI-UHFFFAOYSA-N
XLogP5.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.24
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dichloro-6-[(3,5-dimethylphenyl)methyl]-5-propan-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrimethamine
CID 4993
Metoprine
CID 24466
Etoprine
CID 29142
Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
4-Chloro-2,6-diphenylpyrimidine
CID 582041
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9974420
5-(3-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10060600

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(3,5-dimethylphenyl)methyl]-5-propan-2-ylpyrimidine?
The IUPAC name of 2,4-dichloro-6-[(3,5-dimethylphenyl)methyl]-5-propan-2-ylpyrimidine (CID 10566804) is 2,4-dichloro-6-[(3,5-dimethylphenyl)methyl]-5-propan-2-ylpyrimidine.
What is the SMILES notation for 2,4-dichloro-6-[(3,5-dimethylphenyl)methyl]-5-propan-2-ylpyrimidine?
The canonical SMILES for 2,4-dichloro-6-[(3,5-dimethylphenyl)methyl]-5-propan-2-ylpyrimidine is Cc1cc(C)cc(Cc2nc(Cl)nc(Cl)c2C(C)C)c1.
What is the InChIKey of 2,4-dichloro-6-[(3,5-dimethylphenyl)methyl]-5-propan-2-ylpyrimidine?
The InChIKey is JPIPEDLQJLOKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-9(2)14-13(19-16(18)20-15(14)17)8-12-6-10(3)5-11(4)7-12/h5-7,9H,8H2,1-4H3.
What are the key properties of 2,4-dichloro-6-[(3,5-dimethylphenyl)methyl]-5-propan-2-ylpyrimidine?
2,4-dichloro-6-[(3,5-dimethylphenyl)methyl]-5-propan-2-ylpyrimidine has a molecular weight of 309.24 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(3,5-dimethylphenyl)methyl]-5-propan-2-ylpyrimidine is sourced from PubChem (CID 10566804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).