5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(1H-indol-6-yl)pyrimidine-2,4-diamine

C20H19ClN5P — CID 175544803

IUPAC5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(1H-indol-6-yl)pyrimidine-2,4-diamine
SMILESCP(C)c1ccccc1Nc1nc(Nc2ccc3cc[nH]c3c2)ncc1Cl
InChIInChI=1S/C20H19ClN5P/c1-27(2)18-6-4-3-5-16(18)25-19-15(21)12-23-20(26-19)24-14-8-7-13-9-10-22-17(13)11-14/h3-12,22H,1-2H3,(H2,23,24,25,26)
InChIKeyLICNYSSTOOEEFY-UHFFFAOYSA-N
MW395.83 g/mol
LogP5.47
Rot. Bonds5

About 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(1H-indol-6-yl)pyrimidine-2,4-diamine

5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(1H-indol-6-yl)pyrimidine-2,4-diamine (PubChem CID 175544803) has the molecular formula C20H19ClN5P and a molecular weight of 395.83 g/mol. Its IUPAC name is 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(1H-indol-6-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(1H-indol-6-yl)pyrimidine-2,4-diamine
PubChem CID175544803
Molecular FormulaC20H19ClN5P
Molecular Weight395.83 g/mol
Exact Mass395.11
IUPAC Name5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(1H-indol-6-yl)pyrimidine-2,4-diamine
SMILESCP(C)c1ccccc1Nc1nc(Nc2ccc3cc[nH]c3c2)ncc1Cl
InChIInChI=1S/C20H19ClN5P/c1-27(2)18-6-4-3-5-16(18)25-19-15(21)12-23-20(26-19)24-14-8-7-13-9-10-22-17(13)11-14/h3-12,22H,1-2H3,(H2,23,24,25,26)
InChIKeyLICNYSSTOOEEFY-UHFFFAOYSA-N
XLogP5.47
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.83
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(4-fluoro-3-nitrophenyl)pyrimidine-2,4-diamine
CID 175186270
5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 164853154
5-chloro-2-N-[4-[7-(dimethylamino)-2-azaspiro[3.5]nonan-2-yl]-3-methylphenyl]-4-N-(2-dimethylphosphanylphenyl)pyrimidine-2,4-diamine
CID 155005303
2-N-(1,3-benzothiazol-2-yl)-5-chloro-4-N-(2-dimethylphosphanylphenyl)pyrimidine-2,4-diamine
CID 164853179
5-chloro-2-N-(2,5-dimethylindazol-6-yl)-4-N-(2-dimethylphosphanylphenyl)pyrimidine-2,4-diamine
CID 175899134
5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 155665811
2-[2-[[5-chloro-2-[(2-oxo-1H-quinolin-6-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide
CID 134224381
4-N-(2-dimethylphosphanylphenyl)-5-fluoro-2-N-(4-fluoro-3-nitrophenyl)pyrimidine-2,4-diamine
CID 175584774
4-N-(2-dimethylphosphanylphenyl)-2-N-(2-methylindazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 175899030
5-chloro-4-N-[2-dimethylphosphanyl-4-(trifluoromethoxy)phenyl]-2-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrimidine-2,4-diamine
CID 166872279
5-[[5-bromo-4-(2-dimethylphosphanylanilino)pyrimidin-2-yl]amino]-1-methyl-3H-indol-2-one
CID 172622573
4-N-(3H-benzimidazol-5-yl)-5-chloro-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 164610376

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(1H-indol-6-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(1H-indol-6-yl)pyrimidine-2,4-diamine (CID 175544803) is 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(1H-indol-6-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(1H-indol-6-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(1H-indol-6-yl)pyrimidine-2,4-diamine is CP(C)c1ccccc1Nc1nc(Nc2ccc3cc[nH]c3c2)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(1H-indol-6-yl)pyrimidine-2,4-diamine?
The InChIKey is LICNYSSTOOEEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN5P/c1-27(2)18-6-4-3-5-16(18)25-19-15(21)12-23-20(26-19)24-14-8-7-13-9-10-22-17(13)11-14/h3-12,22H,1-2H3,(H2,23,24,25,26).
What are the key properties of 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(1H-indol-6-yl)pyrimidine-2,4-diamine?
5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(1H-indol-6-yl)pyrimidine-2,4-diamine has a molecular weight of 395.83 g/mol, XLogP of 5.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(1H-indol-6-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 175544803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).