2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane

C13H16Cl2N3OP — CID 160740331

IUPAC2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane
SMILESC.CP(C)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C12H12Cl2N3OP.CH4/c1-19(2,18)10-6-4-3-5-9(10)16-11-8(13)7-15-12(14)17-11;/h3-7H,1-2H3,(H,15,16,17);1H4
InChIKeyRVMJVNOPQJKEJX-UHFFFAOYSA-N
MW332.17 g/mol
LogP4.41
Rot. Bonds3

About 2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane

2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane (PubChem CID 160740331) has the molecular formula C13H16Cl2N3OP and a molecular weight of 332.17 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane.

Molecular Properties

Compound Name2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane
PubChem CID160740331
Molecular FormulaC13H16Cl2N3OP
Molecular Weight332.17 g/mol
Exact Mass331.04
IUPAC Name2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane
SMILESC.CP(C)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C12H12Cl2N3OP.CH4/c1-19(2,18)10-6-4-3-5-9(10)16-11-8(13)7-15-12(14)17-11;/h3-7H,1-2H3,(H,15,16,17);1H4
InChIKeyRVMJVNOPQJKEJX-UHFFFAOYSA-N
XLogP4.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-benzyl-5-chloro-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
CID 156501683
5-chloro-2-N-cyclopentyl-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
CID 71006827
5-chloro-2-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
CID 156501687
4-chloro-N-(2-dimethylphosphorylphenyl)-1,3,5-triazin-2-amine
CID 118147702
2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine
CID 167216736
2-N-(3-aminocyclohexyl)-5-chloro-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
CID 71006703
4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-N-methoxybenzamide
CID 166150099
5-chloro-2-N-[1-(2-chloroethyl)pyrazol-4-yl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
CID 149045331
2-[(2,5-dichloropyrimidin-4-yl)amino]benzoic acid
CID 71501536
2-chloro-N-[3-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-4-methylphenyl]acetamide
CID 118128995
2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
CID 79632163
2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine
CID 142497262

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane?
The IUPAC name of 2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane (CID 160740331) is 2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane.
What is the SMILES notation for 2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane?
The canonical SMILES for 2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane is C.CP(C)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane?
The InChIKey is RVMJVNOPQJKEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N3OP.CH4/c1-19(2,18)10-6-4-3-5-9(10)16-11-8(13)7-15-12(14)17-11;/h3-7H,1-2H3,(H,15,16,17);1H4.
What are the key properties of 2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane?
2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane has a molecular weight of 332.17 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane is sourced from PubChem (CID 160740331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).