4-chloro-N-(2-dimethylphosphorylphenyl)-1,3,5-triazin-2-amine

C11H12ClN4OP — CID 118147702

IUPAC4-chloro-N-(2-dimethylphosphorylphenyl)-1,3,5-triazin-2-amine
SMILESCP(C)(=O)c1ccccc1Nc1ncnc(Cl)n1
InChIInChI=1S/C11H12ClN4OP/c1-18(2,17)9-6-4-3-5-8(9)15-11-14-7-13-10(12)16-11/h3-7H,1-2H3,(H,13,14,15,16)
InChIKeyMAGHJTPOJXXRQO-UHFFFAOYSA-N
MW282.67 g/mol
LogP2.52
Rot. Bonds3

About 4-chloro-N-(2-dimethylphosphorylphenyl)-1,3,5-triazin-2-amine

4-chloro-N-(2-dimethylphosphorylphenyl)-1,3,5-triazin-2-amine (PubChem CID 118147702) has the molecular formula C11H12ClN4OP and a molecular weight of 282.67 g/mol. Its IUPAC name is 4-chloro-N-(2-dimethylphosphorylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-dimethylphosphorylphenyl)-1,3,5-triazin-2-amine
PubChem CID118147702
Molecular FormulaC11H12ClN4OP
Molecular Weight282.67 g/mol
Exact Mass282.04
IUPAC Name4-chloro-N-(2-dimethylphosphorylphenyl)-1,3,5-triazin-2-amine
SMILESCP(C)(=O)c1ccccc1Nc1ncnc(Cl)n1
InChIInChI=1S/C11H12ClN4OP/c1-18(2,17)9-6-4-3-5-8(9)15-11-14-7-13-10(12)16-11/h3-7H,1-2H3,(H,13,14,15,16)
InChIKeyMAGHJTPOJXXRQO-UHFFFAOYSA-N
XLogP2.52
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.67
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane
CID 160740331
6-chloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine
CID 145311319
[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanol
CID 123825024
5-chloro-2-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
CID 156501687
2-N-benzyl-5-chloro-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
CID 156501683
4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-N-methoxybenzamide
CID 166150099
5-chloro-2-N-cyclopentyl-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
CID 71006827
5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[5-[[ethenyl(methyl)phosphoryl]methyl]-2-methoxyphenyl]pyrimidine-2,4-diamine
CID 89261726
2-dimethylphosphoryl-N-methylaniline
CID 130370535
2-chloro-N-[3-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-4-methylphenyl]acetamide
CID 118128995
5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-5-methyl-4-[2-(propan-2-ylamino)ethyl]phenyl]pyrimidine-2,4-diamine
CID 168750483
4-N-(2-dimethylphosphorylphenyl)-2-N-prop-1-en-2-ylpyrimidine-2,4-diamine
CID 142365892

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-dimethylphosphorylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-dimethylphosphorylphenyl)-1,3,5-triazin-2-amine (CID 118147702) is 4-chloro-N-(2-dimethylphosphorylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-dimethylphosphorylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-dimethylphosphorylphenyl)-1,3,5-triazin-2-amine is CP(C)(=O)c1ccccc1Nc1ncnc(Cl)n1.
What is the InChIKey of 4-chloro-N-(2-dimethylphosphorylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is MAGHJTPOJXXRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN4OP/c1-18(2,17)9-6-4-3-5-8(9)15-11-14-7-13-10(12)16-11/h3-7H,1-2H3,(H,13,14,15,16).
What are the key properties of 4-chloro-N-(2-dimethylphosphorylphenyl)-1,3,5-triazin-2-amine?
4-chloro-N-(2-dimethylphosphorylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 282.67 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-dimethylphosphorylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 118147702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).