6-N-methyl-6-N-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine

C14H11F3N6 — CID 71463580

IUPAC6-N-methyl-6-N-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
SMILESCN(c1cc(F)c(F)c(F)c1)c1cnc2nc(N)nc(N)c2c1
InChIInChI=1S/C14H11F3N6/c1-23(6-3-9(15)11(17)10(16)4-6)7-2-8-12(18)21-14(19)22-13(8)20-5-7/h2-5H,1H3,(H4,18,19,20,21,22)
InChIKeyRYXUPKGYPPPMSC-UHFFFAOYSA-N
MW320.28 g/mol
LogP2.37
Rot. Bonds2

About 6-N-methyl-6-N-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine

6-N-methyl-6-N-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine (PubChem CID 71463580) has the molecular formula C14H11F3N6 and a molecular weight of 320.28 g/mol. Its IUPAC name is 6-N-methyl-6-N-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-6-N-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
PubChem CID71463580
Molecular FormulaC14H11F3N6
Molecular Weight320.28 g/mol
Exact Mass320.10
IUPAC Name6-N-methyl-6-N-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
SMILESCN(c1cc(F)c(F)c(F)c1)c1cnc2nc(N)nc(N)c2c1
InChIInChI=1S/C14H11F3N6/c1-23(6-3-9(15)11(17)10(16)4-6)7-2-8-12(18)21-14(19)22-13(8)20-5-7/h2-5H,1H3,(H4,18,19,20,21,22)
InChIKeyRYXUPKGYPPPMSC-UHFFFAOYSA-N
XLogP2.37
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-6-N-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine (CID 71463580) is 6-N-methyl-6-N-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-6-N-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-6-N-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine is CN(c1cc(F)c(F)c(F)c1)c1cnc2nc(N)nc(N)c2c1.
What is the InChIKey of 6-N-methyl-6-N-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine?
The InChIKey is RYXUPKGYPPPMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6/c1-23(6-3-9(15)11(17)10(16)4-6)7-2-8-12(18)21-14(19)22-13(8)20-5-7/h2-5H,1H3,(H4,18,19,20,21,22).
What are the key properties of 6-N-methyl-6-N-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine?
6-N-methyl-6-N-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine has a molecular weight of 320.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 71463580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).