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

C11H9Cl3N4 — CID 80759397

IUPAC6-N-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cc(Cl)c(Cl)cc2Cl)ncn1
InChIInChI=1S/C11H9Cl3N4/c1-15-10-4-11(17-5-16-10)18-9-3-7(13)6(12)2-8(9)14/h2-5H,1H3,(H2,15,16,17,18)
InChIKeyMJCGWUYVNBMZFJ-UHFFFAOYSA-N
MW303.58 g/mol
LogP4.22
Rot. Bonds3

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

6-N-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-4,6-diamine (PubChem CID 80759397) has the molecular formula C11H9Cl3N4 and a molecular weight of 303.58 g/mol. Its IUPAC name is 6-N-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-4,6-diamine
PubChem CID80759397
Molecular FormulaC11H9Cl3N4
Molecular Weight303.58 g/mol
Exact Mass301.99
IUPAC Name6-N-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cc(Cl)c(Cl)cc2Cl)ncn1
InChIInChI=1S/C11H9Cl3N4/c1-15-10-4-11(17-5-16-10)18-9-3-7(13)6(12)2-8(9)14/h2-5H,1H3,(H2,15,16,17,18)
InChIKeyMJCGWUYVNBMZFJ-UHFFFAOYSA-N
XLogP4.22
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 54.22
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-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762667
4-N-(3,5-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80768521
6-N-methyl-2-N-(2,4,5-trichlorophenyl)pyrazine-2,6-diamine
CID 80759464
4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 107617790
4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80763536
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine
CID 89380661
4-N-(5-fluoro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762561
4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80797193
4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80835461
4-N-(2-fluoro-5-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80755577
6-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-4-amine
CID 80890874

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-4,6-diamine (CID 80759397) is 6-N-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-4,6-diamine is CNc1cc(Nc2cc(Cl)c(Cl)cc2Cl)ncn1.
What is the InChIKey of 6-N-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-4,6-diamine?
The InChIKey is MJCGWUYVNBMZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N4/c1-15-10-4-11(17-5-16-10)18-9-3-7(13)6(12)2-8(9)14/h2-5H,1H3,(H2,15,16,17,18).
What are the key properties of 6-N-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-4,6-diamine has a molecular weight of 303.58 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80759397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).