6-chloro-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine

C13H7ClF3N5 — CID 166539934

IUPAC6-chloro-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cncc(Nc2ncnc3ccc(Cl)nc23)c1
InChIInChI=1S/C13H7ClF3N5/c14-10-2-1-9-11(22-10)12(20-6-19-9)21-8-3-7(4-18-5-8)13(15,16)17/h1-6H,(H,19,20,21)
InChIKeyFMIYZHFRAHAFQG-UHFFFAOYSA-N
MW325.68 g/mol
LogP3.84
Rot. Bonds2

About 6-chloro-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine

6-chloro-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 166539934) has the molecular formula C13H7ClF3N5 and a molecular weight of 325.68 g/mol. Its IUPAC name is 6-chloro-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID166539934
Molecular FormulaC13H7ClF3N5
Molecular Weight325.68 g/mol
Exact Mass325.03
IUPAC Name6-chloro-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cncc(Nc2ncnc3ccc(Cl)nc23)c1
InChIInChI=1S/C13H7ClF3N5/c14-10-2-1-9-11(22-10)12(20-6-19-9)21-8-3-7(4-18-5-8)13(15,16)17/h1-6H,(H,19,20,21)
InChIKeyFMIYZHFRAHAFQG-UHFFFAOYSA-N
XLogP3.84
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.68
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine (CID 166539934) is 6-chloro-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine is FC(F)(F)c1cncc(Nc2ncnc3ccc(Cl)nc23)c1.
What is the InChIKey of 6-chloro-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is FMIYZHFRAHAFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N5/c14-10-2-1-9-11(22-10)12(20-6-19-9)21-8-3-7(4-18-5-8)13(15,16)17/h1-6H,(H,19,20,21).
What are the key properties of 6-chloro-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
6-chloro-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 325.68 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 166539934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).