2,5-dichloro-N-[4-(difluoromethoxy)-2-dimethylphosphanyloxyphenyl]pyrimidin-4-amine

C13H12Cl2F2N3O2P — CID 170078616

IUPAC2,5-dichloro-N-[4-(difluoromethoxy)-2-dimethylphosphanyloxyphenyl]pyrimidin-4-amine
SMILESCP(C)Oc1cc(OC(F)F)ccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C13H12Cl2F2N3O2P/c1-23(2)22-10-5-7(21-13(16)17)3-4-9(10)19-11-8(14)6-18-12(15)20-11/h3-6,13H,1-2H3,(H,18,19,20)
InChIKeyDPKCHBLSXIJGNU-UHFFFAOYSA-N
MW382.13 g/mol
LogP5.16
Rot. Bonds6

About 2,5-dichloro-N-[4-(difluoromethoxy)-2-dimethylphosphanyloxyphenyl]pyrimidin-4-amine

2,5-dichloro-N-[4-(difluoromethoxy)-2-dimethylphosphanyloxyphenyl]pyrimidin-4-amine (PubChem CID 170078616) has the molecular formula C13H12Cl2F2N3O2P and a molecular weight of 382.13 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(difluoromethoxy)-2-dimethylphosphanyloxyphenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(difluoromethoxy)-2-dimethylphosphanyloxyphenyl]pyrimidin-4-amine
PubChem CID170078616
Molecular FormulaC13H12Cl2F2N3O2P
Molecular Weight382.13 g/mol
Exact Mass381.00
IUPAC Name2,5-dichloro-N-[4-(difluoromethoxy)-2-dimethylphosphanyloxyphenyl]pyrimidin-4-amine
SMILESCP(C)Oc1cc(OC(F)F)ccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C13H12Cl2F2N3O2P/c1-23(2)22-10-5-7(21-13(16)17)3-4-9(10)19-11-8(14)6-18-12(15)20-11/h3-6,13H,1-2H3,(H,18,19,20)
InChIKeyDPKCHBLSXIJGNU-UHFFFAOYSA-N
XLogP5.16
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.13
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-N-[4-(difluoromethoxy)-2-dimethylphosphanyloxyphenyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-[4-(difluoromethoxy)-2-methylphenyl]pyrimidin-4-amine
CID 170076502
2,5-dichloro-N-(2-dimethylphosphanyloxy-4-methylsulfanylphenyl)pyrimidin-4-amine;phosphane
CID 170078736
4-[(2,5-dichloropyrimidin-4-yl)amino]-3-dimethylphosphanyloxybenzaldehyde;phosphane
CID 170078686
5-chloro-4-N-[4-(difluoromethoxy)-2-dimethylphosphanyloxyphenyl]-2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrimidine-2,4-diamine
CID 170078612
tert-butyl 4-[4-[(2,5-dichloropyrimidin-4-yl)amino]-3-(difluoromethoxy)phenyl]piperazine-1-carboxylate
CID 118105653
2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
CID 79632163
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
CID 79632991
N-[2-[(2,5-dichloropyrimidin-4-yl)amino]-5-methoxyphenyl]methanesulfonamide
CID 58236347
2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632211
4-(difluoromethoxy)-2-dimethylphosphanyloxyaniline;phosphane
CID 170077900
7-[[5-chloro-4-(2-dimethylphosphanyloxy-4-fluorosulfonyloxyanilino)pyrimidin-2-yl]amino]-2-(2,2-difluoroethyl)-6-methoxy-3,4-dihydro-1H-isoquinoline;phosphane
CID 170078259
2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile
CID 82016257

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(difluoromethoxy)-2-dimethylphosphanyloxyphenyl]pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-[4-(difluoromethoxy)-2-dimethylphosphanyloxyphenyl]pyrimidin-4-amine (CID 170078616) is 2,5-dichloro-N-[4-(difluoromethoxy)-2-dimethylphosphanyloxyphenyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-[4-(difluoromethoxy)-2-dimethylphosphanyloxyphenyl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-[4-(difluoromethoxy)-2-dimethylphosphanyloxyphenyl]pyrimidin-4-amine is CP(C)Oc1cc(OC(F)F)ccc1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-[4-(difluoromethoxy)-2-dimethylphosphanyloxyphenyl]pyrimidin-4-amine?
The InChIKey is DPKCHBLSXIJGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2F2N3O2P/c1-23(2)22-10-5-7(21-13(16)17)3-4-9(10)19-11-8(14)6-18-12(15)20-11/h3-6,13H,1-2H3,(H,18,19,20).
What are the key properties of 2,5-dichloro-N-[4-(difluoromethoxy)-2-dimethylphosphanyloxyphenyl]pyrimidin-4-amine?
2,5-dichloro-N-[4-(difluoromethoxy)-2-dimethylphosphanyloxyphenyl]pyrimidin-4-amine has a molecular weight of 382.13 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(difluoromethoxy)-2-dimethylphosphanyloxyphenyl]pyrimidin-4-amine is sourced from PubChem (CID 170078616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).