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

C18H15F3N4 — CID 112877078

IUPAC2-methyl-6-N-(3-methylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2cc(Nc3ccc(F)c(F)c3F)nc(C)n2)c1
InChIInChI=1S/C18H15F3N4/c1-10-4-3-5-12(8-10)24-15-9-16(23-11(2)22-15)25-14-7-6-13(19)17(20)18(14)21/h3-9H,1-2H3,(H2,22,23,24,25)
InChIKeyQGSVFMZLQQSSFD-UHFFFAOYSA-N
MW344.34 g/mol
LogP5.00
Rot. Bonds4

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

2-methyl-6-N-(3-methylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine (PubChem CID 112877078) has the molecular formula C18H15F3N4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-methyl-6-N-(3-methylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-6-N-(3-methylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
PubChem CID112877078
Molecular FormulaC18H15F3N4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name2-methyl-6-N-(3-methylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2cc(Nc3ccc(F)c(F)c3F)nc(C)n2)c1
InChIInChI=1S/C18H15F3N4/c1-10-4-3-5-12(8-10)24-15-9-16(23-11(2)22-15)25-14-7-6-13(19)17(20)18(14)21/h3-9H,1-2H3,(H2,22,23,24,25)
InChIKeyQGSVFMZLQQSSFD-UHFFFAOYSA-N
XLogP5.00
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877027
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864
2-methyl-6-N-(4-pyrrolidin-1-ylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112878918
2-methyl-6-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112877048
6-N-(4-methoxyphenyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877038
6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112872572
6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112878647
6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877862
6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112878014
N-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112877053
6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112877001
4-N-(3-methoxyphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112930602

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-N-(3-methylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-6-N-(3-methylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine (CID 112877078) is 2-methyl-6-N-(3-methylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-6-N-(3-methylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-6-N-(3-methylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine is Cc1cccc(Nc2cc(Nc3ccc(F)c(F)c3F)nc(C)n2)c1.
What is the InChIKey of 2-methyl-6-N-(3-methylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is QGSVFMZLQQSSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4/c1-10-4-3-5-12(8-10)24-15-9-16(23-11(2)22-15)25-14-7-6-13(19)17(20)18(14)21/h3-9H,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-methyl-6-N-(3-methylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
2-methyl-6-N-(3-methylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 344.34 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-N-(3-methylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112877078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).