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

C19H17F3N4O2 — CID 112878647

IUPAC6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(Nc3ccc(F)c(F)c3F)nc(C)n2)c(OC)c1
InChIInChI=1S/C19H17F3N4O2/c1-10-23-16(25-13-6-4-11(27-2)8-15(13)28-3)9-17(24-10)26-14-7-5-12(20)18(21)19(14)22/h4-9H,1-3H3,(H2,23,24,25,26)
InChIKeyFDKYFPYIWZLVKF-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.71
Rot. Bonds6

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

6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine (PubChem CID 112878647) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
PubChem CID112878647
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(Nc3ccc(F)c(F)c3F)nc(C)n2)c(OC)c1
InChIInChI=1S/C19H17F3N4O2/c1-10-23-16(25-13-6-4-11(27-2)8-15(13)28-3)9-17(24-10)26-14-7-5-12(20)18(21)19(14)22/h4-9H,1-3H3,(H2,23,24,25,26)
InChIKeyFDKYFPYIWZLVKF-UHFFFAOYSA-N
XLogP4.71
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,4-dimethoxyphenyl)-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877821
4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876906
6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878650
N-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 20899006
6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867967
N-[4-[[6-(2,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878632
4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877885
4-N-(2,4-dimethoxyphenyl)-6-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874245
2-methyl-6-N-(3-methylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112877078
2-N-(2,4-dimethoxyphenyl)-3,4-difluorobenzene-1,2-diamine
CID 62532309
4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877814
6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112872572

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine (CID 112878647) is 6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine is COc1ccc(Nc2cc(Nc3ccc(F)c(F)c3F)nc(C)n2)c(OC)c1.
What is the InChIKey of 6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is FDKYFPYIWZLVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-10-23-16(25-13-6-4-11(27-2)8-15(13)28-3)9-17(24-10)26-14-7-5-12(20)18(21)19(14)22/h4-9H,1-3H3,(H2,23,24,25,26).
What are the key properties of 6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 390.37 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112878647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).