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

C13H9F3N6 — CID 155543847

IUPAC6-N-(3,4,5-trifluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine
SMILESNc1nc(N)c2nc(Nc3cc(F)c(F)c(F)c3)ccc2n1
InChIInChI=1S/C13H9F3N6/c14-6-3-5(4-7(15)10(6)16)19-9-2-1-8-11(21-9)12(17)22-13(18)20-8/h1-4H,(H,19,21)(H4,17,18,20,22)
InChIKeyJRPWTASLGZCEKZ-UHFFFAOYSA-N
MW306.25 g/mol
LogP2.35
Rot. Bonds2

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

6-N-(3,4,5-trifluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine (PubChem CID 155543847) has the molecular formula C13H9F3N6 and a molecular weight of 306.25 g/mol. Its IUPAC name is 6-N-(3,4,5-trifluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(3,4,5-trifluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine
PubChem CID155543847
Molecular FormulaC13H9F3N6
Molecular Weight306.25 g/mol
Exact Mass306.08
IUPAC Name6-N-(3,4,5-trifluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine
SMILESNc1nc(N)c2nc(Nc3cc(F)c(F)c(F)c3)ccc2n1
InChIInChI=1S/C13H9F3N6/c14-6-3-5(4-7(15)10(6)16)19-9-2-1-8-11(21-9)12(17)22-13(18)20-8/h1-4H,(H,19,21)(H4,17,18,20,22)
InChIKeyJRPWTASLGZCEKZ-UHFFFAOYSA-N
XLogP2.35
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 52.35
H-Bond Donors ≤ 53
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-(3,4,5-trifluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-(3,4,5-trifluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine (CID 155543847) is 6-N-(3,4,5-trifluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-(3,4,5-trifluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-(3,4,5-trifluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine is Nc1nc(N)c2nc(Nc3cc(F)c(F)c(F)c3)ccc2n1.
What is the InChIKey of 6-N-(3,4,5-trifluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine?
The InChIKey is JRPWTASLGZCEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N6/c14-6-3-5(4-7(15)10(6)16)19-9-2-1-8-11(21-9)12(17)22-13(18)20-8/h1-4H,(H,19,21)(H4,17,18,20,22).
What are the key properties of 6-N-(3,4,5-trifluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine?
6-N-(3,4,5-trifluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine has a molecular weight of 306.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4,5-trifluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 155543847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).