5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine

C21H19ClN5P — CID 164853154

IUPAC5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCP(C)c1ccccc1Nc1nc(Nc2cccc3cccnc23)ncc1Cl
InChIInChI=1S/C21H19ClN5P/c1-28(2)18-11-4-3-9-16(18)25-20-15(22)13-24-21(27-20)26-17-10-5-7-14-8-6-12-23-19(14)17/h3-13H,1-2H3,(H2,24,25,26,27)
InChIKeyUEUPWNVOYVUNRR-UHFFFAOYSA-N
MW407.85 g/mol
LogP5.53
Rot. Bonds5

About 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine

5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine (PubChem CID 164853154) has the molecular formula C21H19ClN5P and a molecular weight of 407.85 g/mol. Its IUPAC name is 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
PubChem CID164853154
Molecular FormulaC21H19ClN5P
Molecular Weight407.85 g/mol
Exact Mass407.11
IUPAC Name5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCP(C)c1ccccc1Nc1nc(Nc2cccc3cccnc23)ncc1Cl
InChIInChI=1S/C21H19ClN5P/c1-28(2)18-11-4-3-9-16(18)25-20-15(22)13-24-21(27-20)26-17-10-5-7-14-8-6-12-23-19(14)17/h3-13H,1-2H3,(H2,24,25,26,27)
InChIKeyUEUPWNVOYVUNRR-UHFFFAOYSA-N
XLogP5.53
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.85
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-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-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine
CID 116785816
N-(2-hydrazinyl-5-methylpyrimidin-4-yl)quinolin-8-amine
CID 80926155
2-N-(6-amino-2-pyridinyl)-5-chloro-4-N-(2-dimethoxyphosphanylphenyl)pyrimidine-2,4-diamine
CID 162715825
4-[1-[4-[[5-chloro-4-(2-dimethylphosphanylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazine-1-carbaldehyde
CID 166947531
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
5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine
CID 80930813
5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 155665811
N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-8-amine
CID 81035858

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine (CID 164853154) is 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine is CP(C)c1ccccc1Nc1nc(Nc2cccc3cccnc23)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The InChIKey is UEUPWNVOYVUNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN5P/c1-28(2)18-11-4-3-9-16(18)25-20-15(22)13-24-21(27-20)26-17-10-5-7-14-8-6-12-23-19(14)17/h3-13H,1-2H3,(H2,24,25,26,27).
What are the key properties of 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine has a molecular weight of 407.85 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 164853154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).