N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine

C13H7ClF2N4 — CID 166538319

IUPACN-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine
SMILESFc1cc2c(Nc3cccc(Cl)c3F)ncnc2cn1
InChIInChI=1S/C13H7ClF2N4/c14-8-2-1-3-9(12(8)16)20-13-7-4-11(15)17-5-10(7)18-6-19-13/h1-6H,(H,18,19,20)
InChIKeyKQDONAPXZVJPLX-UHFFFAOYSA-N
MW292.68 g/mol
LogP3.70
Rot. Bonds2

About N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine

N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 166538319) has the molecular formula C13H7ClF2N4 and a molecular weight of 292.68 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine
PubChem CID166538319
Molecular FormulaC13H7ClF2N4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC NameN-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine
SMILESFc1cc2c(Nc3cccc(Cl)c3F)ncnc2cn1
InChIInChI=1S/C13H7ClF2N4/c14-8-2-1-3-9(12(8)16)20-13-7-4-11(15)17-5-10(7)18-6-19-13/h1-6H,(H,18,19,20)
InChIKeyKQDONAPXZVJPLX-UHFFFAOYSA-N
XLogP3.70
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 53.70
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

6-chloro-N-(2,3-difluorophenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 166539805
N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine
CID 130227832
N-(3-chloro-2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 138513770
N-(3-chloro-2-fluorophenyl)-6-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 166539548
N-(3-chloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 166539481
[4-(3-chloro-2-fluoroanilino)pyrido[3,4-d]pyrimidin-6-yl] pyrrolidine-1-carboxylate
CID 166539807
N-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2538570
6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine
CID 10633767
6-bromo-N-(3-chloro-2-fluorophenyl)-7-(difluoromethoxy)quinazolin-4-amine
CID 146246322
N-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine
CID 166540128
N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane
CID 143086548
N-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine
CID 24743956

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine (CID 166538319) is N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine is Fc1cc2c(Nc3cccc(Cl)c3F)ncnc2cn1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is KQDONAPXZVJPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N4/c14-8-2-1-3-9(12(8)16)20-13-7-4-11(15)17-5-10(7)18-6-19-13/h1-6H,(H,18,19,20).
What are the key properties of N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine?
N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 292.68 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 166538319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).