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

C12H7ClFN5 — CID 166539944

IUPAC6-chloro-N-(5-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESFc1cncc(Nc2ncnc3ccc(Cl)nc23)c1
InChIInChI=1S/C12H7ClFN5/c13-10-2-1-9-11(19-10)12(17-6-16-9)18-8-3-7(14)4-15-5-8/h1-6H,(H,16,17,18)
InChIKeyFUCRGYLXTKGTCL-UHFFFAOYSA-N
MW275.67 g/mol
LogP2.96
Rot. Bonds2

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

6-chloro-N-(5-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 166539944) has the molecular formula C12H7ClFN5 and a molecular weight of 275.67 g/mol. Its IUPAC name is 6-chloro-N-(5-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(5-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID166539944
Molecular FormulaC12H7ClFN5
Molecular Weight275.67 g/mol
Exact Mass275.04
IUPAC Name6-chloro-N-(5-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESFc1cncc(Nc2ncnc3ccc(Cl)nc23)c1
InChIInChI=1S/C12H7ClFN5/c13-10-2-1-9-11(19-10)12(17-6-16-9)18-8-3-7(14)4-15-5-8/h1-6H,(H,16,17,18)
InChIKeyFUCRGYLXTKGTCL-UHFFFAOYSA-N
XLogP2.96
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.67
LogP ≤ 52.96
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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Related Compounds

6-chloro-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166539934
6-chloro-N-(1H-pyrrol-3-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 154196913
6-chloro-N-(cyclobutadienyl)pyrido[3,2-d]pyrimidin-4-amine
CID 88898385
4-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2,3-difluorophenol
CID 166539277
6-chloro-N-[4-(5-fluoro-3-pyrrolidin-2-yl-2-pyridinyl)butyl]pyrido[3,2-d]pyrimidin-4-amine
CID 146212499
3-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-fluorobenzonitrile
CID 166540002
N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide
CID 137370841
6-chloro-N-[4-(1-methylbenzimidazol-5-yl)oxyphenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 164562062
6-chloro-N-[3-chloro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166540295
N-(3-chloro-4-fluorophenyl)-6-methylpyrimido[5,4-d]pyrimidin-4-amine
CID 19709246
6-chloro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;ethane
CID 169133232
N-(3-fluorophenyl)-6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-amine
CID 19709302

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(5-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine (CID 166539944) is 6-chloro-N-(5-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(5-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(5-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine is Fc1cncc(Nc2ncnc3ccc(Cl)nc23)c1.
What is the InChIKey of 6-chloro-N-(5-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is FUCRGYLXTKGTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN5/c13-10-2-1-9-11(19-10)12(17-6-16-9)18-8-3-7(14)4-15-5-8/h1-6H,(H,16,17,18).
What are the key properties of 6-chloro-N-(5-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine?
6-chloro-N-(5-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 275.67 g/mol, XLogP of 2.96, 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-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 166539944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).