N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-(3-methylphenyl)pyrido[3,4-d]pyrimidin-4-amine

C24H23FN4 — CID 176710227

IUPACN-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-(3-methylphenyl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(-c2cc3c(N[C@H](C)c4cccc(C)c4F)nc(C)nc3cn2)c1
InChIInChI=1S/C24H23FN4/c1-14-7-5-9-18(11-14)21-12-20-22(13-26-21)28-17(4)29-24(20)27-16(3)19-10-6-8-15(2)23(19)25/h5-13,16H,1-4H3,(H,27,28,29)/t16-/m1/s1
InChIKeyPTYYSJFCODPECZ-MRXNPFEDSA-N
MW386.47 g/mol
LogP5.93
Rot. Bonds4

About N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-(3-methylphenyl)pyrido[3,4-d]pyrimidin-4-amine

N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-(3-methylphenyl)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 176710227) has the molecular formula C24H23FN4 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-(3-methylphenyl)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-(3-methylphenyl)pyrido[3,4-d]pyrimidin-4-amine
PubChem CID176710227
Molecular FormulaC24H23FN4
Molecular Weight386.47 g/mol
Exact Mass386.19
IUPAC NameN-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-(3-methylphenyl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(-c2cc3c(N[C@H](C)c4cccc(C)c4F)nc(C)nc3cn2)c1
InChIInChI=1S/C24H23FN4/c1-14-7-5-9-18(11-14)21-12-20-22(13-26-21)28-17(4)29-24(20)27-16(3)19-10-6-8-15(2)23(19)25/h5-13,16H,1-4H3,(H,27,28,29)/t16-/m1/s1
InChIKeyPTYYSJFCODPECZ-MRXNPFEDSA-N
XLogP5.93
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-bromo-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-2-fluorophenyl]-1,1-difluoro-2-methylpropan-2-ol
CID 166073257
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-[4-[4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methylpyrido[3,4-d]pyrimidin-6-yl]-4-oxo-1,4λ5-azaphosphinan-1-yl]ethanone
CID 166057881
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-(1H-indazol-4-yl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine;methane
CID 167652006
2-[3-[(1R)-1-[(6-bromo-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-2-fluorophenyl]-1-cyclopropyl-2,2-difluoroethanone
CID 171513064
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-chloro-N-[1-[3-(1,1-difluoro-2-methyl-2-triethylsilyloxypropyl)-2-fluorophenyl]ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 174191198
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine
CID 166527368
1-[4-[4-[1-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]-2-methylpyrido[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanone
CID 175335421
4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methylpyrido[2,3-d]pyrimidin-6-ol
CID 166527413

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-(3-methylphenyl)pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-(3-methylphenyl)pyrido[3,4-d]pyrimidin-4-amine (CID 176710227) is N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-(3-methylphenyl)pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-(3-methylphenyl)pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-(3-methylphenyl)pyrido[3,4-d]pyrimidin-4-amine is Cc1cccc(-c2cc3c(N[C@H](C)c4cccc(C)c4F)nc(C)nc3cn2)c1.
What is the InChIKey of N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-(3-methylphenyl)pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is PTYYSJFCODPECZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H23FN4/c1-14-7-5-9-18(11-14)21-12-20-22(13-26-21)28-17(4)29-24(20)27-16(3)19-10-6-8-15(2)23(19)25/h5-13,16H,1-4H3,(H,27,28,29)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-(3-methylphenyl)pyrido[3,4-d]pyrimidin-4-amine?
N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-(3-methylphenyl)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 386.47 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-(3-methylphenyl)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 176710227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).