N-[(1R)-1-[3-(1,1-difluoro-2-methyl-2-triethylsilyloxypropyl)-2-fluorophenyl]ethyl]-6-dimethylphosphoryl-8-[(4-methoxyphenyl)methoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine

C36H48F3N4O4PSi — CID 166073163

IUPACN-[(1R)-1-[3-(1,1-difluoro-2-methyl-2-triethylsilyloxypropyl)-2-fluorophenyl]ethyl]-6-dimethylphosphoryl-8-[(4-methoxyphenyl)methoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCC[Si](CC)(CC)OC(C)(C)C(F)(F)c1cccc([C@@H](C)Nc2nc(C)nc3c(OCc4ccc(OC)cc4)nc(P(C)(C)=O)cc23)c1F
InChIInChI=1S/C36H48F3N4O4PSi/c1-11-49(12-2,13-3)47-35(6,7)36(38,39)29-16-14-15-27(31(29)37)23(4)40-33-28-21-30(48(9,10)44)43-34(32(28)41-24(5)42-33)46-22-25-17-19-26(45-8)20-18-25/h14-21,23H,11-13,22H2,1-10H3,(H,40,41,42)/t23-/m1/s1
InChIKeyQIFHNOMVWNVPFO-HSZRJFAPSA-N
MW716.86 g/mol
LogP9.37
Rot. Bonds15

About N-[(1R)-1-[3-(1,1-difluoro-2-methyl-2-triethylsilyloxypropyl)-2-fluorophenyl]ethyl]-6-dimethylphosphoryl-8-[(4-methoxyphenyl)methoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine

N-[(1R)-1-[3-(1,1-difluoro-2-methyl-2-triethylsilyloxypropyl)-2-fluorophenyl]ethyl]-6-dimethylphosphoryl-8-[(4-methoxyphenyl)methoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 166073163) has the molecular formula C36H48F3N4O4PSi and a molecular weight of 716.86 g/mol. Its IUPAC name is N-[(1R)-1-[3-(1,1-difluoro-2-methyl-2-triethylsilyloxypropyl)-2-fluorophenyl]ethyl]-6-dimethylphosphoryl-8-[(4-methoxyphenyl)methoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-[3-(1,1-difluoro-2-methyl-2-triethylsilyloxypropyl)-2-fluorophenyl]ethyl]-6-dimethylphosphoryl-8-[(4-methoxyphenyl)methoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID166073163
Molecular FormulaC36H48F3N4O4PSi
Molecular Weight716.86 g/mol
Exact Mass716.31
IUPAC NameN-[(1R)-1-[3-(1,1-difluoro-2-methyl-2-triethylsilyloxypropyl)-2-fluorophenyl]ethyl]-6-dimethylphosphoryl-8-[(4-methoxyphenyl)methoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCC[Si](CC)(CC)OC(C)(C)C(F)(F)c1cccc([C@@H](C)Nc2nc(C)nc3c(OCc4ccc(OC)cc4)nc(P(C)(C)=O)cc23)c1F
InChIInChI=1S/C36H48F3N4O4PSi/c1-11-49(12-2,13-3)47-35(6,7)36(38,39)29-16-14-15-27(31(29)37)23(4)40-33-28-21-30(48(9,10)44)43-34(32(28)41-24(5)42-33)46-22-25-17-19-26(45-8)20-18-25/h14-21,23H,11-13,22H2,1-10H3,(H,40,41,42)/t23-/m1/s1
InChIKeyQIFHNOMVWNVPFO-HSZRJFAPSA-N
XLogP9.37
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.86
LogP ≤ 59.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-[3-(1,1-difluoro-2-methyl-2-triethylsilyloxypropyl)-2-fluorophenyl]ethyl]-6-dimethylphosphoryl-8-[(4-methoxyphenyl)methoxy]-2-methylpyrido[3,4-d]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

6-chloro-N-[1-[3-(1,1-difluoro-2-methyl-2-triethylsilyloxypropyl)-2-fluorophenyl]ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 174191198
2-[3-[(1R)-1-[(6-dimethylphosphoryl-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol
CID 166057864
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
6-dimethylphosphoryl-N-[1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 175376308
N-[1-[2-chloro-3-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 175527158
N-[(1R)-1-(3-bromo-2-fluorophenyl)ethyl]-6-dimethylphosphoryl-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 166073130
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
2-[3-[(1R)-1-[(6-bromo-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol
CID 172720657
1-[3-[1-[(6-diethylphosphoryl-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-2-fluorophenyl]-1,1-difluoropropan-2-ol
CID 174191061
6-dimethylphosphoryl-2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-N-propan-2-ylquinazoline-4,7-diamine
CID 175261907
1-[3-[(1R)-1-[(6-bromo-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-2-fluorophenyl]-1,1-difluoro-2-methylpropan-2-ol
CID 166073257
1-[4-[4-[[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylpyrido[2,3-d]pyrimidin-6-yl]piperazin-1-yl]-2-hydroxyethanone
CID 164919235

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(1,1-difluoro-2-methyl-2-triethylsilyloxypropyl)-2-fluorophenyl]ethyl]-6-dimethylphosphoryl-8-[(4-methoxyphenyl)methoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-[3-(1,1-difluoro-2-methyl-2-triethylsilyloxypropyl)-2-fluorophenyl]ethyl]-6-dimethylphosphoryl-8-[(4-methoxyphenyl)methoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine (CID 166073163) is N-[(1R)-1-[3-(1,1-difluoro-2-methyl-2-triethylsilyloxypropyl)-2-fluorophenyl]ethyl]-6-dimethylphosphoryl-8-[(4-methoxyphenyl)methoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-[3-(1,1-difluoro-2-methyl-2-triethylsilyloxypropyl)-2-fluorophenyl]ethyl]-6-dimethylphosphoryl-8-[(4-methoxyphenyl)methoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-[3-(1,1-difluoro-2-methyl-2-triethylsilyloxypropyl)-2-fluorophenyl]ethyl]-6-dimethylphosphoryl-8-[(4-methoxyphenyl)methoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine is CC[Si](CC)(CC)OC(C)(C)C(F)(F)c1cccc([C@@H](C)Nc2nc(C)nc3c(OCc4ccc(OC)cc4)nc(P(C)(C)=O)cc23)c1F.
What is the InChIKey of N-[(1R)-1-[3-(1,1-difluoro-2-methyl-2-triethylsilyloxypropyl)-2-fluorophenyl]ethyl]-6-dimethylphosphoryl-8-[(4-methoxyphenyl)methoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is QIFHNOMVWNVPFO-HSZRJFAPSA-N. The full InChI is InChI=1S/C36H48F3N4O4PSi/c1-11-49(12-2,13-3)47-35(6,7)36(38,39)29-16-14-15-27(31(29)37)23(4)40-33-28-21-30(48(9,10)44)43-34(32(28)41-24(5)42-33)46-22-25-17-19-26(45-8)20-18-25/h14-21,23H,11-13,22H2,1-10H3,(H,40,41,42)/t23-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(1,1-difluoro-2-methyl-2-triethylsilyloxypropyl)-2-fluorophenyl]ethyl]-6-dimethylphosphoryl-8-[(4-methoxyphenyl)methoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
N-[(1R)-1-[3-(1,1-difluoro-2-methyl-2-triethylsilyloxypropyl)-2-fluorophenyl]ethyl]-6-dimethylphosphoryl-8-[(4-methoxyphenyl)methoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 716.86 g/mol, XLogP of 9.37, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(1,1-difluoro-2-methyl-2-triethylsilyloxypropyl)-2-fluorophenyl]ethyl]-6-dimethylphosphoryl-8-[(4-methoxyphenyl)methoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 166073163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).