6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine

C13H9FN4 — CID 10633767

IUPAC6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine
SMILESFc1cc2c(Nc3ccccc3)ncnc2cn1
InChIInChI=1S/C13H9FN4/c14-12-6-10-11(7-15-12)16-8-17-13(10)18-9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
InChIKeyLEPLVUNJCIDPAG-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.91
Rot. Bonds2

About 6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine

6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 10633767) has the molecular formula C13H9FN4 and a molecular weight of 240.24 g/mol. Its IUPAC name is 6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID10633767
Molecular FormulaC13H9FN4
Molecular Weight240.24 g/mol
Exact Mass240.08
IUPAC Name6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine
SMILESFc1cc2c(Nc3ccccc3)ncnc2cn1
InChIInChI=1S/C13H9FN4/c14-12-6-10-11(7-15-12)16-8-17-13(10)18-9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
InChIKeyLEPLVUNJCIDPAG-UHFFFAOYSA-N
XLogP2.91
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.91
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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Related Compounds

N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine
CID 166538319
N,6-diphenylquinazolin-4-amine
CID 86766666
6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;methane
CID 169425535
6-fluoro-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 59987542
4-anilinoquinazolin-6-ol;ethane
CID 91520479
4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709380
N-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 59076984
7,8-difluoro-N-phenylquinazolin-4-amine
CID 166377180
N-(4-fluoro-3-methylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine;hydrochloride
CID 22460838
4-N-(2-fluorophenyl)quinazoline-4,6-diamine
CID 11379777
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylquinazolin-4-amine
CID 3234707

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine (CID 10633767) is 6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine is Fc1cc2c(Nc3ccccc3)ncnc2cn1.
What is the InChIKey of 6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is LEPLVUNJCIDPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4/c14-12-6-10-11(7-15-12)16-8-17-13(10)18-9-4-2-1-3-5-9/h1-8H,(H,16,17,18).
What are the key properties of 6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine?
6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 240.24 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 10633767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).