2-(4-aminopyrido[3,2-d]pyrimidin-6-yl)oxybenzonitrile

C14H9N5O — CID 90054807

IUPAC2-(4-aminopyrido[3,2-d]pyrimidin-6-yl)oxybenzonitrile
SMILESN#Cc1ccccc1Oc1ccc2ncnc(N)c2n1
InChIInChI=1S/C14H9N5O/c15-7-9-3-1-2-4-11(9)20-12-6-5-10-13(19-12)14(16)18-8-17-10/h1-6,8H,(H2,16,17,18)
InChIKeyGCMNMLMNCPMSCH-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.27
Rot. Bonds2

About 2-(4-aminopyrido[3,2-d]pyrimidin-6-yl)oxybenzonitrile

2-(4-aminopyrido[3,2-d]pyrimidin-6-yl)oxybenzonitrile (PubChem CID 90054807) has the molecular formula C14H9N5O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-(4-aminopyrido[3,2-d]pyrimidin-6-yl)oxybenzonitrile.

Molecular Properties

Compound Name2-(4-aminopyrido[3,2-d]pyrimidin-6-yl)oxybenzonitrile
PubChem CID90054807
Molecular FormulaC14H9N5O
Molecular Weight263.26 g/mol
Exact Mass263.08
IUPAC Name2-(4-aminopyrido[3,2-d]pyrimidin-6-yl)oxybenzonitrile
SMILESN#Cc1ccccc1Oc1ccc2ncnc(N)c2n1
InChIInChI=1S/C14H9N5O/c15-7-9-3-1-2-4-11(9)20-12-6-5-10-13(19-12)14(16)18-8-17-10/h1-6,8H,(H2,16,17,18)
InChIKeyGCMNMLMNCPMSCH-UHFFFAOYSA-N
XLogP2.27
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrido[3,2-d]pyrimidin-6-yl)oxybenzonitrile?
The IUPAC name of 2-(4-aminopyrido[3,2-d]pyrimidin-6-yl)oxybenzonitrile (CID 90054807) is 2-(4-aminopyrido[3,2-d]pyrimidin-6-yl)oxybenzonitrile.
What is the SMILES notation for 2-(4-aminopyrido[3,2-d]pyrimidin-6-yl)oxybenzonitrile?
The canonical SMILES for 2-(4-aminopyrido[3,2-d]pyrimidin-6-yl)oxybenzonitrile is N#Cc1ccccc1Oc1ccc2ncnc(N)c2n1.
What is the InChIKey of 2-(4-aminopyrido[3,2-d]pyrimidin-6-yl)oxybenzonitrile?
The InChIKey is GCMNMLMNCPMSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O/c15-7-9-3-1-2-4-11(9)20-12-6-5-10-13(19-12)14(16)18-8-17-10/h1-6,8H,(H2,16,17,18).
What are the key properties of 2-(4-aminopyrido[3,2-d]pyrimidin-6-yl)oxybenzonitrile?
2-(4-aminopyrido[3,2-d]pyrimidin-6-yl)oxybenzonitrile has a molecular weight of 263.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrido[3,2-d]pyrimidin-6-yl)oxybenzonitrile is sourced from PubChem (CID 90054807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).