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

C13H7ClF2N4 — CID 166539805

IUPAC6-chloro-N-(2,3-difluorophenyl)pyrido[3,4-d]pyrimidin-4-amine
SMILESFc1cccc(Nc2ncnc3cnc(Cl)cc23)c1F
InChIInChI=1S/C13H7ClF2N4/c14-11-4-7-10(5-17-11)18-6-19-13(7)20-9-3-1-2-8(15)12(9)16/h1-6H,(H,18,19,20)
InChIKeyBJXMMGJOFSXCIW-UHFFFAOYSA-N
MW292.68 g/mol
LogP3.70
Rot. Bonds2

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

6-chloro-N-(2,3-difluorophenyl)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 166539805) has the molecular formula C13H7ClF2N4 and a molecular weight of 292.68 g/mol. Its IUPAC name is 6-chloro-N-(2,3-difluorophenyl)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-difluorophenyl)pyrido[3,4-d]pyrimidin-4-amine
PubChem CID166539805
Molecular FormulaC13H7ClF2N4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC Name6-chloro-N-(2,3-difluorophenyl)pyrido[3,4-d]pyrimidin-4-amine
SMILESFc1cccc(Nc2ncnc3cnc(Cl)cc23)c1F
InChIInChI=1S/C13H7ClF2N4/c14-11-4-7-10(5-17-11)18-6-19-13(7)20-9-3-1-2-8(15)12(9)16/h1-6H,(H,18,19,20)
InChIKeyBJXMMGJOFSXCIW-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

N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine
CID 166538319
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-methylphenyl)-6-fluoroquinazolin-4-amine
CID 110434586
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
4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80798019
4-N-(2-fluorophenyl)quinazoline-4,6-diamine
CID 11379777
4-N-(2,3-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80797806
6-chloro-N-[3-fluoro-2-methyl-4-(1-methylbenzotriazol-5-yl)oxyphenyl]pyrido[3,4-d]pyrimidin-4-amine
CID 164562002
7-[[(3aS,6aR)-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-N-(2,3-difluorophenyl)-6-methoxyquinazolin-4-amine
CID 58617000

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-difluorophenyl)pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,3-difluorophenyl)pyrido[3,4-d]pyrimidin-4-amine (CID 166539805) is 6-chloro-N-(2,3-difluorophenyl)pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,3-difluorophenyl)pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,3-difluorophenyl)pyrido[3,4-d]pyrimidin-4-amine is Fc1cccc(Nc2ncnc3cnc(Cl)cc23)c1F.
What is the InChIKey of 6-chloro-N-(2,3-difluorophenyl)pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is BJXMMGJOFSXCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N4/c14-11-4-7-10(5-17-11)18-6-19-13(7)20-9-3-1-2-8(15)12(9)16/h1-6H,(H,18,19,20).
What are the key properties of 6-chloro-N-(2,3-difluorophenyl)pyrido[3,4-d]pyrimidin-4-amine?
6-chloro-N-(2,3-difluorophenyl)pyrido[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 6-chloro-N-(2,3-difluorophenyl)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 166539805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).