5-chloro-2-N-(2,5-dimethylindazol-6-yl)-4-N-(2-dimethylphosphanylphenyl)pyrimidine-2,4-diamine

C21H22ClN6P — CID 175899134

IUPAC5-chloro-2-N-(2,5-dimethylindazol-6-yl)-4-N-(2-dimethylphosphanylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc2cn(C)nc2cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)C)n1
InChIInChI=1S/C21H22ClN6P/c1-13-9-14-12-28(2)27-18(14)10-17(13)25-21-23-11-15(22)20(26-21)24-16-7-5-6-8-19(16)29(3)4/h5-12H,1-4H3,(H2,23,24,25,26)
InChIKeyLWKNFCNBCRTMFJ-UHFFFAOYSA-N
MW424.88 g/mol
LogP5.18
Rot. Bonds5

About 5-chloro-2-N-(2,5-dimethylindazol-6-yl)-4-N-(2-dimethylphosphanylphenyl)pyrimidine-2,4-diamine

5-chloro-2-N-(2,5-dimethylindazol-6-yl)-4-N-(2-dimethylphosphanylphenyl)pyrimidine-2,4-diamine (PubChem CID 175899134) has the molecular formula C21H22ClN6P and a molecular weight of 424.88 g/mol. Its IUPAC name is 5-chloro-2-N-(2,5-dimethylindazol-6-yl)-4-N-(2-dimethylphosphanylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(2,5-dimethylindazol-6-yl)-4-N-(2-dimethylphosphanylphenyl)pyrimidine-2,4-diamine
PubChem CID175899134
Molecular FormulaC21H22ClN6P
Molecular Weight424.88 g/mol
Exact Mass424.13
IUPAC Name5-chloro-2-N-(2,5-dimethylindazol-6-yl)-4-N-(2-dimethylphosphanylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc2cn(C)nc2cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)C)n1
InChIInChI=1S/C21H22ClN6P/c1-13-9-14-12-28(2)27-18(14)10-17(13)25-21-23-11-15(22)20(26-21)24-16-7-5-6-8-19(16)29(3)4/h5-12H,1-4H3,(H2,23,24,25,26)
InChIKeyLWKNFCNBCRTMFJ-UHFFFAOYSA-N
XLogP5.18
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.88
LogP ≤ 55.18
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

4-N-(2-dimethylphosphanylphenyl)-2-N-(2-methylindazol-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 175899030
2-N-(1,3-benzothiazol-2-yl)-5-chloro-4-N-(2-dimethylphosphanylphenyl)pyrimidine-2,4-diamine
CID 164853179
5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 164853154
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-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
5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 155665811
2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine
CID 5271601
1-[1-[4-[[5-chloro-4-(2-dimethylphosphanylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-4-methylpiperazine-2,2,6,6-tetrol
CID 145316969
4-[1-[4-[[5-chloro-4-(2-dimethylphosphanylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazine-1-carbaldehyde
CID 166947531
N-[5-[[5-chloro-4-(2-dimethylphosphanylanilino)pyrimidin-2-yl]amino]-2-[9-(dimethylamino)-3-azaspiro[5.5]undecan-3-yl]-4-methoxyphenyl]prop-2-enamide
CID 155184002
2-N-(6-amino-2-pyridinyl)-5-chloro-4-N-(2-dimethoxyphosphanylphenyl)pyrimidine-2,4-diamine
CID 162715825

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(2,5-dimethylindazol-6-yl)-4-N-(2-dimethylphosphanylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-(2,5-dimethylindazol-6-yl)-4-N-(2-dimethylphosphanylphenyl)pyrimidine-2,4-diamine (CID 175899134) is 5-chloro-2-N-(2,5-dimethylindazol-6-yl)-4-N-(2-dimethylphosphanylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-(2,5-dimethylindazol-6-yl)-4-N-(2-dimethylphosphanylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-(2,5-dimethylindazol-6-yl)-4-N-(2-dimethylphosphanylphenyl)pyrimidine-2,4-diamine is Cc1cc2cn(C)nc2cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)C)n1.
What is the InChIKey of 5-chloro-2-N-(2,5-dimethylindazol-6-yl)-4-N-(2-dimethylphosphanylphenyl)pyrimidine-2,4-diamine?
The InChIKey is LWKNFCNBCRTMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN6P/c1-13-9-14-12-28(2)27-18(14)10-17(13)25-21-23-11-15(22)20(26-21)24-16-7-5-6-8-19(16)29(3)4/h5-12H,1-4H3,(H2,23,24,25,26).
What are the key properties of 5-chloro-2-N-(2,5-dimethylindazol-6-yl)-4-N-(2-dimethylphosphanylphenyl)pyrimidine-2,4-diamine?
5-chloro-2-N-(2,5-dimethylindazol-6-yl)-4-N-(2-dimethylphosphanylphenyl)pyrimidine-2,4-diamine has a molecular weight of 424.88 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(2,5-dimethylindazol-6-yl)-4-N-(2-dimethylphosphanylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 175899134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).