6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine

C16H15FN4O2 — CID 59199210

IUPAC6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine
SMILESCOCCOc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C16H15FN4O2/c1-22-8-9-23-15-14-13(20-16(18)21-15)7-6-12(19-14)10-2-4-11(17)5-3-10/h2-7H,8-9H2,1H3,(H2,18,20,21)
InChIKeyFRPGDFDBAODOFL-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.44
Rot. Bonds5

About 6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine

6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 59199210) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine
PubChem CID59199210
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine
SMILESCOCCOc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C16H15FN4O2/c1-22-8-9-23-15-14-13(20-16(18)21-15)7-6-12(19-14)10-2-4-11(17)5-3-10/h2-7H,8-9H2,1H3,(H2,18,20,21)
InChIKeyFRPGDFDBAODOFL-UHFFFAOYSA-N
XLogP2.44
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine (CID 59199210) is 6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine is COCCOc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is FRPGDFDBAODOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-22-8-9-23-15-14-13(20-16(18)21-15)7-6-12(19-14)10-2-4-11(17)5-3-10/h2-7H,8-9H2,1H3,(H2,18,20,21).
What are the key properties of 6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine?
6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 314.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 59199210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).