4-N-(3-methoxyphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine

C18H15F3N4O — CID 112930602

IUPAC4-N-(3-methoxyphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2cc(C)nc(Nc3ccc(F)c(F)c3F)n2)c1
InChIInChI=1S/C18H15F3N4O/c1-10-8-15(23-11-4-3-5-12(9-11)26-2)25-18(22-10)24-14-7-6-13(19)16(20)17(14)21/h3-9H,1-2H3,(H2,22,23,24,25)
InChIKeyWYKRJQHSQDHEFN-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.70
Rot. Bonds5

About 4-N-(3-methoxyphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine

4-N-(3-methoxyphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine (PubChem CID 112930602) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 4-N-(3-methoxyphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-methoxyphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
PubChem CID112930602
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name4-N-(3-methoxyphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2cc(C)nc(Nc3ccc(F)c(F)c3F)n2)c1
InChIInChI=1S/C18H15F3N4O/c1-10-8-15(23-11-4-3-5-12(9-11)26-2)25-18(22-10)24-14-7-6-13(19)16(20)17(14)21/h3-9H,1-2H3,(H2,22,23,24,25)
InChIKeyWYKRJQHSQDHEFN-UHFFFAOYSA-N
XLogP4.70
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927268
2-N-(2,6-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928423
1-[3-[[4-methyl-6-(2,3,4-trifluoroanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112931428
4-N-(3-chloro-4-methylphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112930108
4-N-(4-ethylphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112928709
4-N-(2,5-dimethylphenyl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928074
2-N-(3-chloro-4-methylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930113
2-N-(3-methoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930615
ethyl 2-[[4-(3-methoxyanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112930597
2-N-(3-chloro-4-methoxyphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930286
4-N-(3,4-difluorophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930545
4-N-(2,4-difluorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930755

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxyphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-methoxyphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine (CID 112930602) is 4-N-(3-methoxyphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-methoxyphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-methoxyphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine is COc1cccc(Nc2cc(C)nc(Nc3ccc(F)c(F)c3F)n2)c1.
What is the InChIKey of 4-N-(3-methoxyphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is WYKRJQHSQDHEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-10-8-15(23-11-4-3-5-12(9-11)26-2)25-18(22-10)24-14-7-6-13(19)16(20)17(14)21/h3-9H,1-2H3,(H2,22,23,24,25).
What are the key properties of 4-N-(3-methoxyphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine?
4-N-(3-methoxyphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 360.34 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxyphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112930602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).