2-N-(3,4-dichlorophenyl)-5-N-dimethylphosphoryl-4-N-methylpyrimidine-2,4,5-triamine

C13H16Cl2N5OP — CID 21077439

IUPAC2-N-(3,4-dichlorophenyl)-5-N-dimethylphosphoryl-4-N-methylpyrimidine-2,4,5-triamine
SMILESCNc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1NP(C)(C)=O
InChIInChI=1S/C13H16Cl2N5OP/c1-16-12-11(20-22(2,3)21)7-17-13(19-12)18-8-4-5-9(14)10(15)6-8/h4-7H,1-3H3,(H,20,21)(H2,16,17,18,19)
InChIKeyFJIIDZOMQVMEKD-UHFFFAOYSA-N
MW360.19 g/mol
LogP4.52
Rot. Bonds5

About 2-N-(3,4-dichlorophenyl)-5-N-dimethylphosphoryl-4-N-methylpyrimidine-2,4,5-triamine

2-N-(3,4-dichlorophenyl)-5-N-dimethylphosphoryl-4-N-methylpyrimidine-2,4,5-triamine (PubChem CID 21077439) has the molecular formula C13H16Cl2N5OP and a molecular weight of 360.19 g/mol. Its IUPAC name is 2-N-(3,4-dichlorophenyl)-5-N-dimethylphosphoryl-4-N-methylpyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name2-N-(3,4-dichlorophenyl)-5-N-dimethylphosphoryl-4-N-methylpyrimidine-2,4,5-triamine
PubChem CID21077439
Molecular FormulaC13H16Cl2N5OP
Molecular Weight360.19 g/mol
Exact Mass359.05
IUPAC Name2-N-(3,4-dichlorophenyl)-5-N-dimethylphosphoryl-4-N-methylpyrimidine-2,4,5-triamine
SMILESCNc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1NP(C)(C)=O
InChIInChI=1S/C13H16Cl2N5OP/c1-16-12-11(20-22(2,3)21)7-17-13(19-12)18-8-4-5-9(14)10(15)6-8/h4-7H,1-3H3,(H,20,21)(H2,16,17,18,19)
InChIKeyFJIIDZOMQVMEKD-UHFFFAOYSA-N
XLogP4.52
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]butane-1-sulfonamide
CID 21077438
N-[2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]-N-methylsulfonylmethanesulfonamide
CID 21077436
N-[4-[[4,5-bis(methylamino)pyrimidin-2-yl]amino]phenyl]methanesulfonamide
CID 145360463
5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine
CID 166380400
5-bromo-4-chloro-N-(3,4-dichlorophenyl)pyrimidin-2-amine
CID 168509794
5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 71458913
4-N-(3,4-dichlorophenyl)-5-fluoro-2-N-(2-methyl-1-benzofuran-5-yl)pyrimidine-2,4-diamine;N-methylmethanamine
CID 67276852
2-(3,4-dichloroanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83182017
2-N-[3-(aminomethyl)-4-chlorophenyl]-4-N-methyl-5-nitropyrimidine-2,4-diamine
CID 21077470
2-N-(3,4-dichlorophenyl)-4-N-[2-(methylamino)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67210283
3,4-dichloro-N-methylaniline;formaldehyde
CID 153392117
2-(3,4-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 57380055

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dichlorophenyl)-5-N-dimethylphosphoryl-4-N-methylpyrimidine-2,4,5-triamine?
The IUPAC name of 2-N-(3,4-dichlorophenyl)-5-N-dimethylphosphoryl-4-N-methylpyrimidine-2,4,5-triamine (CID 21077439) is 2-N-(3,4-dichlorophenyl)-5-N-dimethylphosphoryl-4-N-methylpyrimidine-2,4,5-triamine.
What is the SMILES notation for 2-N-(3,4-dichlorophenyl)-5-N-dimethylphosphoryl-4-N-methylpyrimidine-2,4,5-triamine?
The canonical SMILES for 2-N-(3,4-dichlorophenyl)-5-N-dimethylphosphoryl-4-N-methylpyrimidine-2,4,5-triamine is CNc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1NP(C)(C)=O.
What is the InChIKey of 2-N-(3,4-dichlorophenyl)-5-N-dimethylphosphoryl-4-N-methylpyrimidine-2,4,5-triamine?
The InChIKey is FJIIDZOMQVMEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N5OP/c1-16-12-11(20-22(2,3)21)7-17-13(19-12)18-8-4-5-9(14)10(15)6-8/h4-7H,1-3H3,(H,20,21)(H2,16,17,18,19).
What are the key properties of 2-N-(3,4-dichlorophenyl)-5-N-dimethylphosphoryl-4-N-methylpyrimidine-2,4,5-triamine?
2-N-(3,4-dichlorophenyl)-5-N-dimethylphosphoryl-4-N-methylpyrimidine-2,4,5-triamine has a molecular weight of 360.19 g/mol, XLogP of 4.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dichlorophenyl)-5-N-dimethylphosphoryl-4-N-methylpyrimidine-2,4,5-triamine is sourced from PubChem (CID 21077439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).