6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine

C12H10Cl3N3 — CID 55230629

IUPAC6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C12H10Cl3N3/c1-6-11(15)16-7(2)17-12(6)18-9-5-3-4-8(13)10(9)14/h3-5H,1-2H3,(H,16,17,18)
InChIKeyYOASMXBKSLVEQE-UHFFFAOYSA-N
MW302.59 g/mol
LogP4.80
Rot. Bonds2

About 6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine

6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 55230629) has the molecular formula C12H10Cl3N3 and a molecular weight of 302.59 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine
PubChem CID55230629
Molecular FormulaC12H10Cl3N3
Molecular Weight302.59 g/mol
Exact Mass300.99
IUPAC Name6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C12H10Cl3N3/c1-6-11(15)16-7(2)17-12(6)18-9-5-3-4-8(13)10(9)14/h3-5H,1-2H3,(H,16,17,18)
InChIKeyYOASMXBKSLVEQE-UHFFFAOYSA-N
XLogP4.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.59
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine 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

6-chloro-N-(2-chloro-6-methylphenyl)-2,5-dimethylpyrimidin-4-amine
CID 66256721
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80928246
6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 107530513
N-(4-bromo-2-chlorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 63729411
4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876944
1-N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297856
3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-methylpyridine-2,6-diamine
CID 102754522
6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine
CID 63729895
6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 63733892
N-(2,3-dichlorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80916872
6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine
CID 63727891
6-chloro-2,5-dimethyl-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 63734213

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine (CID 55230629) is 6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine is Cc1nc(Cl)c(C)c(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is YOASMXBKSLVEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N3/c1-6-11(15)16-7(2)17-12(6)18-9-5-3-4-8(13)10(9)14/h3-5H,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 302.59 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 55230629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).