5,6,8-trifluoro-2-methylpyrido[3,4-d]pyrimidin-4-amine

C8H5F3N4 — CID 102318659

IUPAC5,6,8-trifluoro-2-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(F)c(F)nc(F)c2n1
InChIInChI=1S/C8H5F3N4/c1-2-13-5-3(8(12)14-2)4(9)6(10)15-7(5)11/h1H3,(H2,12,13,14)
InChIKeyCAMCPPJSOCMNAA-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.33
Rot. Bonds

About 5,6,8-trifluoro-2-methylpyrido[3,4-d]pyrimidin-4-amine

5,6,8-trifluoro-2-methylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 102318659) has the molecular formula C8H5F3N4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 5,6,8-trifluoro-2-methylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6,8-trifluoro-2-methylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID102318659
Molecular FormulaC8H5F3N4
Molecular Weight214.15 g/mol
Exact Mass214.05
IUPAC Name5,6,8-trifluoro-2-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(F)c(F)nc(F)c2n1
InChIInChI=1S/C8H5F3N4/c1-2-13-5-3(8(12)14-2)4(9)6(10)15-7(5)11/h1H3,(H2,12,13,14)
InChIKeyCAMCPPJSOCMNAA-UHFFFAOYSA-N
XLogP1.33
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5,6,8-trifluoro-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 5,6,8-trifluoro-2-methylpyrido[3,4-d]pyrimidin-4-amine (CID 102318659) is 5,6,8-trifluoro-2-methylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6,8-trifluoro-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 5,6,8-trifluoro-2-methylpyrido[3,4-d]pyrimidin-4-amine is Cc1nc(N)c2c(F)c(F)nc(F)c2n1.
What is the InChIKey of 5,6,8-trifluoro-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is CAMCPPJSOCMNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4/c1-2-13-5-3(8(12)14-2)4(9)6(10)15-7(5)11/h1H3,(H2,12,13,14).
What are the key properties of 5,6,8-trifluoro-2-methylpyrido[3,4-d]pyrimidin-4-amine?
5,6,8-trifluoro-2-methylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 214.15 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8-trifluoro-2-methylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 102318659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).