[4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-pyridin-3-ylmethanamine

C21H18FN5O — CID 69317051

IUPAC[4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-pyridin-3-ylmethanamine
SMILESCCOc1nc(C(N)c2cccnc2)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C21H18FN5O/c1-2-28-21-19-17(10-9-16(25-19)13-5-7-15(22)8-6-13)26-20(27-21)18(23)14-4-3-11-24-12-14/h3-12,18H,2,23H2,1H3
InChIKeyNIPWNNPHXHCPLG-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.67
Rot. Bonds5

About [4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-pyridin-3-ylmethanamine

[4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-pyridin-3-ylmethanamine (PubChem CID 69317051) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is [4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name[4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-pyridin-3-ylmethanamine
PubChem CID69317051
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name[4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-pyridin-3-ylmethanamine
SMILESCCOc1nc(C(N)c2cccnc2)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C21H18FN5O/c1-2-28-21-19-17(10-9-16(25-19)13-5-7-15(22)8-6-13)26-20(27-21)18(23)14-4-3-11-24-12-14/h3-12,18H,2,23H2,1H3
InChIKeyNIPWNNPHXHCPLG-UHFFFAOYSA-N
XLogP3.67
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-pyridin-3-ylmethanamine?
The IUPAC name of [4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-pyridin-3-ylmethanamine (CID 69317051) is [4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-pyridin-3-ylmethanamine.
What is the SMILES notation for [4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-pyridin-3-ylmethanamine?
The canonical SMILES for [4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-pyridin-3-ylmethanamine is CCOc1nc(C(N)c2cccnc2)nc2ccc(-c3ccc(F)cc3)nc12.
What is the InChIKey of [4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-pyridin-3-ylmethanamine?
The InChIKey is NIPWNNPHXHCPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-2-28-21-19-17(10-9-16(25-19)13-5-7-15(22)8-6-13)26-20(27-21)18(23)14-4-3-11-24-12-14/h3-12,18H,2,23H2,1H3.
What are the key properties of [4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-pyridin-3-ylmethanamine?
[4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-pyridin-3-ylmethanamine has a molecular weight of 375.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-pyridin-3-ylmethanamine is sourced from PubChem (CID 69317051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).