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

C14H12FN5O — CID 69076988

IUPAC4-ethoxy-6-(2-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCCOc1nc(N)nc2ccc(-c3cccnc3F)nc12
InChIInChI=1S/C14H12FN5O/c1-2-21-13-11-10(19-14(16)20-13)6-5-9(18-11)8-4-3-7-17-12(8)15/h3-7H,2H2,1H3,(H2,16,19,20)
InChIKeyVYPAKCRTJUETPH-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.21
Rot. Bonds3

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

4-ethoxy-6-(2-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 69076988) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 4-ethoxy-6-(2-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(2-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-amine
PubChem CID69076988
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name4-ethoxy-6-(2-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCCOc1nc(N)nc2ccc(-c3cccnc3F)nc12
InChIInChI=1S/C14H12FN5O/c1-2-21-13-11-10(19-14(16)20-13)6-5-9(18-11)8-4-3-7-17-12(8)15/h3-7H,2H2,1H3,(H2,16,19,20)
InChIKeyVYPAKCRTJUETPH-UHFFFAOYSA-N
XLogP2.21
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(2-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-(2-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-amine (CID 69076988) is 4-ethoxy-6-(2-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(2-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-(2-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-amine is CCOc1nc(N)nc2ccc(-c3cccnc3F)nc12.
What is the InChIKey of 4-ethoxy-6-(2-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is VYPAKCRTJUETPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c1-2-21-13-11-10(19-14(16)20-13)6-5-9(18-11)8-4-3-7-17-12(8)15/h3-7H,2H2,1H3,(H2,16,19,20).
What are the key properties of 4-ethoxy-6-(2-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-amine?
4-ethoxy-6-(2-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 285.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(2-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 69076988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).