6-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine

C11H9Cl3N4 — CID 80759461

IUPAC6-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(Cl)c(Cl)cc2Cl)nc(N)n1
InChIInChI=1S/C11H9Cl3N4/c1-5-2-10(18-11(15)16-5)17-9-4-7(13)6(12)3-8(9)14/h2-4H,1H3,(H3,15,16,17,18)
InChIKeyWPUNTOXSVPSAJR-UHFFFAOYSA-N
MW303.58 g/mol
LogP4.07
Rot. Bonds2

About 6-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine

6-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine (PubChem CID 80759461) has the molecular formula C11H9Cl3N4 and a molecular weight of 303.58 g/mol. Its IUPAC name is 6-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
PubChem CID80759461
Molecular FormulaC11H9Cl3N4
Molecular Weight303.58 g/mol
Exact Mass301.99
IUPAC Name6-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(Cl)c(Cl)cc2Cl)nc(N)n1
InChIInChI=1S/C11H9Cl3N4/c1-5-2-10(18-11(15)16-5)17-9-4-7(13)6(12)3-8(9)14/h2-4H,1H3,(H3,15,16,17,18)
InChIKeyWPUNTOXSVPSAJR-UHFFFAOYSA-N
XLogP4.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80834320
4-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 114250639
4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 56921023
4-N-(2,5-dichloro-4-methylphenyl)pyrimidine-2,4-diamine
CID 104728696
4-N-(2-chloro-4-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755521
4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 2730124
4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80759587
methyl 4-(5-amino-2-chloroanilino)-6-methylpyrimidine-2-carboxylate
CID 66286908
4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 80804517
4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80754804
4-N-(2,4-dichlorophenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80921104
2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107801787

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine (CID 80759461) is 6-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine is Cc1cc(Nc2cc(Cl)c(Cl)cc2Cl)nc(N)n1.
What is the InChIKey of 6-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine?
The InChIKey is WPUNTOXSVPSAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N4/c1-5-2-10(18-11(15)16-5)17-9-4-7(13)6(12)3-8(9)14/h2-4H,1H3,(H3,15,16,17,18).
What are the key properties of 6-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine?
6-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine has a molecular weight of 303.58 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80759461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).