6-(6-amino-3-pyridinyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine

C21H19FN6O — CID 69314270

IUPAC6-(6-amino-3-pyridinyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
SMILESCCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(N)nc3)nc12
InChIInChI=1S/C21H19FN6O/c1-2-29-20-19-17(9-8-16(26-19)14-5-10-18(23)24-12-14)27-21(28-20)25-11-13-3-6-15(22)7-4-13/h3-10,12H,2,11H2,1H3,(H2,23,24)(H,25,27,28)
InChIKeyFOJZUIANGSTGPF-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.82
Rot. Bonds6

About 6-(6-amino-3-pyridinyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine

6-(6-amino-3-pyridinyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 69314270) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 6-(6-amino-3-pyridinyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(6-amino-3-pyridinyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
PubChem CID69314270
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name6-(6-amino-3-pyridinyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
SMILESCCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(N)nc3)nc12
InChIInChI=1S/C21H19FN6O/c1-2-29-20-19-17(9-8-16(26-19)14-5-10-18(23)24-12-14)27-21(28-20)25-11-13-3-6-15(22)7-4-13/h3-10,12H,2,11H2,1H3,(H2,23,24)(H,25,27,28)
InChIKeyFOJZUIANGSTGPF-UHFFFAOYSA-N
XLogP3.82
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-pyridinyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-(6-amino-3-pyridinyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine (CID 69314270) is 6-(6-amino-3-pyridinyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(6-amino-3-pyridinyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-(6-amino-3-pyridinyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine is CCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(N)nc3)nc12.
What is the InChIKey of 6-(6-amino-3-pyridinyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is FOJZUIANGSTGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-2-29-20-19-17(9-8-16(26-19)14-5-10-18(23)24-12-14)27-21(28-20)25-11-13-3-6-15(22)7-4-13/h3-10,12H,2,11H2,1H3,(H2,23,24)(H,25,27,28).
What are the key properties of 6-(6-amino-3-pyridinyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine?
6-(6-amino-3-pyridinyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 390.42 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-3-pyridinyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 69314270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).