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

C11H8Cl3N3 — CID 63548876

IUPAC2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(Cl)cc(Cl)c2)nc(Cl)n1
InChIInChI=1S/C11H8Cl3N3/c1-6-2-10(17-11(14)15-6)16-9-4-7(12)3-8(13)5-9/h2-5H,1H3,(H,15,16,17)
InChIKeyBCLJULJYSPYIMW-UHFFFAOYSA-N
MW288.57 g/mol
LogP4.49
Rot. Bonds2

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

2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine (PubChem CID 63548876) has the molecular formula C11H8Cl3N3 and a molecular weight of 288.57 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine
PubChem CID63548876
Molecular FormulaC11H8Cl3N3
Molecular Weight288.57 g/mol
Exact Mass286.98
IUPAC Name2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(Cl)cc(Cl)c2)nc(Cl)n1
InChIInChI=1S/C11H8Cl3N3/c1-6-2-10(17-11(14)15-6)16-9-4-7(12)3-8(13)5-9/h2-5H,1H3,(H,15,16,17)
InChIKeyBCLJULJYSPYIMW-UHFFFAOYSA-N
XLogP4.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidin-4-amine
CID 116700654
2,6-dichloro-N-(3,5-dichlorophenyl)pyrimidin-4-amine
CID 10380610
1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
CID 108777581
(2-chloro-6-methylpyrimidin-4-yl)hydrazine
CID 12581786
4-[[4-(3,5-dichloroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932222
4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112875999
4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932223
5-[(2-chloro-6-methylpyrimidin-4-yl)amino]isoindole-1,3-dione
CID 62476432
2-chloro-4,6-dimethylpyrimidine
CID 20550
2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 53385561
4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917733
N-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914456

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine (CID 63548876) is 2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine is Cc1cc(Nc2cc(Cl)cc(Cl)c2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine?
The InChIKey is BCLJULJYSPYIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3/c1-6-2-10(17-11(14)15-6)16-9-4-7(12)3-8(13)5-9/h2-5H,1H3,(H,15,16,17).
What are the key properties of 2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine?
2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine has a molecular weight of 288.57 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 63548876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).