3-amino-2-(phenoxymethyl)pyrido[3,4-d]pyrimidin-4-one

C14H12N4O2 — CID 174707920

IUPAC3-amino-2-(phenoxymethyl)pyrido[3,4-d]pyrimidin-4-one
SMILESNn1c(COc2ccccc2)nc2cnccc2c1=O
InChIInChI=1S/C14H12N4O2/c15-18-13(9-20-10-4-2-1-3-5-10)17-12-8-16-7-6-11(12)14(18)19/h1-8H,9,15H2
InChIKeyHRYYYKSZDRCNEK-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.08
Rot. Bonds3

About 3-amino-2-(phenoxymethyl)pyrido[3,4-d]pyrimidin-4-one

3-amino-2-(phenoxymethyl)pyrido[3,4-d]pyrimidin-4-one (PubChem CID 174707920) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-amino-2-(phenoxymethyl)pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-2-(phenoxymethyl)pyrido[3,4-d]pyrimidin-4-one
PubChem CID174707920
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name3-amino-2-(phenoxymethyl)pyrido[3,4-d]pyrimidin-4-one
SMILESNn1c(COc2ccccc2)nc2cnccc2c1=O
InChIInChI=1S/C14H12N4O2/c15-18-13(9-20-10-4-2-1-3-5-10)17-12-8-16-7-6-11(12)14(18)19/h1-8H,9,15H2
InChIKeyHRYYYKSZDRCNEK-UHFFFAOYSA-N
XLogP1.08
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(phenoxymethyl)pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-amino-2-(phenoxymethyl)pyrido[3,4-d]pyrimidin-4-one (CID 174707920) is 3-amino-2-(phenoxymethyl)pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-2-(phenoxymethyl)pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-2-(phenoxymethyl)pyrido[3,4-d]pyrimidin-4-one is Nn1c(COc2ccccc2)nc2cnccc2c1=O.
What is the InChIKey of 3-amino-2-(phenoxymethyl)pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is HRYYYKSZDRCNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-18-13(9-20-10-4-2-1-3-5-10)17-12-8-16-7-6-11(12)14(18)19/h1-8H,9,15H2.
What are the key properties of 3-amino-2-(phenoxymethyl)pyrido[3,4-d]pyrimidin-4-one?
3-amino-2-(phenoxymethyl)pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 268.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(phenoxymethyl)pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 174707920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).