N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-amine

C19H21F3N5OP — CID 164897555

IUPACN-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H](C)c2cc(N)cc(C(F)(F)F)c2)c2cc(P(C)(C)=O)cnc2n1
InChIInChI=1S/C19H21F3N5OP/c1-10(12-5-13(19(20,21)22)7-14(23)6-12)25-18-16-8-15(29(3,4)28)9-24-17(16)26-11(2)27-18/h5-10H,23H2,1-4H3,(H,24,25,26,27)/t10-/m1/s1
InChIKeyJEVMICNLVFYQPE-SNVBAGLBSA-N
MW423.38 g/mol
LogP4.36
Rot. Bonds4

About N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-amine

N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 164897555) has the molecular formula C19H21F3N5OP and a molecular weight of 423.38 g/mol. Its IUPAC name is N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID164897555
Molecular FormulaC19H21F3N5OP
Molecular Weight423.38 g/mol
Exact Mass423.14
IUPAC NameN-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H](C)c2cc(N)cc(C(F)(F)F)c2)c2cc(P(C)(C)=O)cnc2n1
InChIInChI=1S/C19H21F3N5OP/c1-10(12-5-13(19(20,21)22)7-14(23)6-12)25-18-16-8-15(29(3,4)28)9-24-17(16)26-11(2)27-18/h5-10H,23H2,1-4H3,(H,24,25,26,27)/t10-/m1/s1
InChIKeyJEVMICNLVFYQPE-SNVBAGLBSA-N
XLogP4.36
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-amine (CID 164897555) is N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-amine is Cc1nc(N[C@H](C)c2cc(N)cc(C(F)(F)F)c2)c2cc(P(C)(C)=O)cnc2n1.
What is the InChIKey of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is JEVMICNLVFYQPE-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H21F3N5OP/c1-10(12-5-13(19(20,21)22)7-14(23)6-12)25-18-16-8-15(29(3,4)28)9-24-17(16)26-11(2)27-18/h5-10H,23H2,1-4H3,(H,24,25,26,27)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-amine?
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 423.38 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164897555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).