4-N-(2-dimethylphosphanylphenyl)-2-N-(2-methylindazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C21H20F3N6P — CID 175899030

IUPAC4-N-(2-dimethylphosphanylphenyl)-2-N-(2-methylindazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCn1cc2ccc(Nc3ncc(C(F)(F)F)c(Nc4ccccc4P(C)C)n3)cc2n1
InChIInChI=1S/C21H20F3N6P/c1-30-12-13-8-9-14(10-17(13)29-30)26-20-25-11-15(21(22,23)24)19(28-20)27-16-6-4-5-7-18(16)31(2)3/h4-12H,1-3H3,(H2,25,26,27,28)
InChIKeyFOGNKTHJLKOYNN-UHFFFAOYSA-N
MW444.40 g/mol
LogP5.24
Rot. Bonds5

About 4-N-(2-dimethylphosphanylphenyl)-2-N-(2-methylindazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(2-dimethylphosphanylphenyl)-2-N-(2-methylindazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 175899030) has the molecular formula C21H20F3N6P and a molecular weight of 444.40 g/mol. Its IUPAC name is 4-N-(2-dimethylphosphanylphenyl)-2-N-(2-methylindazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-dimethylphosphanylphenyl)-2-N-(2-methylindazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID175899030
Molecular FormulaC21H20F3N6P
Molecular Weight444.40 g/mol
Exact Mass444.14
IUPAC Name4-N-(2-dimethylphosphanylphenyl)-2-N-(2-methylindazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCn1cc2ccc(Nc3ncc(C(F)(F)F)c(Nc4ccccc4P(C)C)n3)cc2n1
InChIInChI=1S/C21H20F3N6P/c1-30-12-13-8-9-14(10-17(13)29-30)26-20-25-11-15(21(22,23)24)19(28-20)27-16-6-4-5-7-18(16)31(2)3/h4-12H,1-3H3,(H2,25,26,27,28)
InChIKeyFOGNKTHJLKOYNN-UHFFFAOYSA-N
XLogP5.24
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.40
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-N-(2,5-dimethylindazol-6-yl)-4-N-(2-dimethylphosphanylphenyl)pyrimidine-2,4-diamine
CID 175899134
4-N-(2-dimethylphosphanylphenyl)-5-fluoro-2-N-(4-fluoro-3-nitrophenyl)pyrimidine-2,4-diamine
CID 175584774
5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(1H-indol-6-yl)pyrimidine-2,4-diamine
CID 175544803
5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(4-fluoro-3-nitrophenyl)pyrimidine-2,4-diamine
CID 175186270
5-[[5-bromo-4-(2-dimethylphosphanylanilino)pyrimidin-2-yl]amino]-1-methyl-3H-indol-2-one
CID 172622573
1-(2-dimethylphosphorylphenyl)-2-(2-methylindazol-6-yl)-1-[5-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 175411789
N-[2-[[2-[(3-methyl-2H-indazol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 175544747
2-N-(1,3-benzodioxol-5-yl)-4-N-(2,3-dichlorophenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 118908174
6-[[5-fluoro-2-[(2-methylindazol-6-yl)amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 67277541
1,1-diethyl-3-[3-[[2-[(1-methylindazol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]urea
CID 68602637
4-N-(1,3-benzodioxol-5-yl)-2-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 118905668
4-N-methyl-2-N-(1-methylindazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 171597629

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-dimethylphosphanylphenyl)-2-N-(2-methylindazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-dimethylphosphanylphenyl)-2-N-(2-methylindazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 175899030) is 4-N-(2-dimethylphosphanylphenyl)-2-N-(2-methylindazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-dimethylphosphanylphenyl)-2-N-(2-methylindazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-dimethylphosphanylphenyl)-2-N-(2-methylindazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is Cn1cc2ccc(Nc3ncc(C(F)(F)F)c(Nc4ccccc4P(C)C)n3)cc2n1.
What is the InChIKey of 4-N-(2-dimethylphosphanylphenyl)-2-N-(2-methylindazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is FOGNKTHJLKOYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N6P/c1-30-12-13-8-9-14(10-17(13)29-30)26-20-25-11-15(21(22,23)24)19(28-20)27-16-6-4-5-7-18(16)31(2)3/h4-12H,1-3H3,(H2,25,26,27,28).
What are the key properties of 4-N-(2-dimethylphosphanylphenyl)-2-N-(2-methylindazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(2-dimethylphosphanylphenyl)-2-N-(2-methylindazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 444.40 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-dimethylphosphanylphenyl)-2-N-(2-methylindazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 175899030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).