6-dimethylphosphoryl-N-[1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine

C19H19F4N4OP — CID 175376308

IUPAC6-dimethylphosphoryl-N-[1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NC(C)c2cccc(C(F)(F)F)c2F)c2cc(P(C)(C)=O)cnc2n1
InChIInChI=1S/C19H19F4N4OP/c1-10(13-6-5-7-15(16(13)20)19(21,22)23)25-18-14-8-12(29(3,4)28)9-24-17(14)26-11(2)27-18/h5-10H,1-4H3,(H,24,25,26,27)
InChIKeyXWKMJYKNTRMNPX-UHFFFAOYSA-N
MW426.35 g/mol
LogP4.91
Rot. Bonds4

About 6-dimethylphosphoryl-N-[1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine

6-dimethylphosphoryl-N-[1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 175376308) has the molecular formula C19H19F4N4OP and a molecular weight of 426.35 g/mol. Its IUPAC name is 6-dimethylphosphoryl-N-[1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-dimethylphosphoryl-N-[1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID175376308
Molecular FormulaC19H19F4N4OP
Molecular Weight426.35 g/mol
Exact Mass426.12
IUPAC Name6-dimethylphosphoryl-N-[1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NC(C)c2cccc(C(F)(F)F)c2F)c2cc(P(C)(C)=O)cnc2n1
InChIInChI=1S/C19H19F4N4OP/c1-10(13-6-5-7-15(16(13)20)19(21,22)23)25-18-14-8-12(29(3,4)28)9-24-17(14)26-11(2)27-18/h5-10H,1-4H3,(H,24,25,26,27)
InChIKeyXWKMJYKNTRMNPX-UHFFFAOYSA-N
XLogP4.91
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 54.91
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

1-[3-[(1R)-1-[(6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]-2-fluorophenyl]-1,1-difluoro-2-methylpropan-2-ol
CID 166057884
1-[3-[(1R)-1-[(6-dipropylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]-2-fluorophenyl]-1,1-difluoro-2-methylpropan-2-ol
CID 166057892
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 164897555
tert-butyl 3-[4-[[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpyrido[2,3-d]pyrimidin-6-yl]azetidine-1-carboxylate
CID 170398745
2-[3-[(1R)-1-[(6-dimethylphosphoryl-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol
CID 166057864
N-[1-[2-chloro-3-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 175527158
1-[3-[(1R)-1-[(6-bromo-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-2-fluorophenyl]-1,1-difluoro-3-methylbutan-2-one
CID 166073259
1-[3-[1-[(6-diethylphosphoryl-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-2-fluorophenyl]-1,1-difluoropropan-2-ol
CID 174191061
4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methylpyrido[2,3-d]pyrimidin-6-ol
CID 166527413
6-dimethylphosphoryl-2-methyl-4-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinazoline-4,7-diamine
CID 167166014
1-[4-[4-[1-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]-2-methylpyrido[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanone
CID 175335421
6-bromo-7-N-ethyl-4-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methylquinazoline-4,7-diamine
CID 167166320

Frequently Asked Questions

What is the IUPAC name of 6-dimethylphosphoryl-N-[1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-dimethylphosphoryl-N-[1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine (CID 175376308) is 6-dimethylphosphoryl-N-[1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-dimethylphosphoryl-N-[1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-dimethylphosphoryl-N-[1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine is Cc1nc(NC(C)c2cccc(C(F)(F)F)c2F)c2cc(P(C)(C)=O)cnc2n1.
What is the InChIKey of 6-dimethylphosphoryl-N-[1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is XWKMJYKNTRMNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N4OP/c1-10(13-6-5-7-15(16(13)20)19(21,22)23)25-18-14-8-12(29(3,4)28)9-24-17(14)26-11(2)27-18/h5-10H,1-4H3,(H,24,25,26,27).
What are the key properties of 6-dimethylphosphoryl-N-[1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine?
6-dimethylphosphoryl-N-[1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 426.35 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dimethylphosphoryl-N-[1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 175376308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).