8-[(benzylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one

C15H14N4O — CID 135567116

IUPAC8-[(benzylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(CNCc3ccccc3)nccc12
InChIInChI=1S/C15H14N4O/c20-15-12-6-7-17-13(14(12)18-10-19-15)9-16-8-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2,(H,18,19,20)
InChIKeyYIEUEKVBIVGYSC-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.61
Rot. Bonds4

About 8-[(benzylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one

8-[(benzylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 135567116) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 8-[(benzylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-[(benzylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID135567116
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name8-[(benzylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(CNCc3ccccc3)nccc12
InChIInChI=1S/C15H14N4O/c20-15-12-6-7-17-13(14(12)18-10-19-15)9-16-8-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2,(H,18,19,20)
InChIKeyYIEUEKVBIVGYSC-UHFFFAOYSA-N
XLogP1.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(benzylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 8-[(benzylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 135567116) is 8-[(benzylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-[(benzylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 8-[(benzylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]cnc2c(CNCc3ccccc3)nccc12.
What is the InChIKey of 8-[(benzylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is YIEUEKVBIVGYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-15-12-6-7-17-13(14(12)18-10-19-15)9-16-8-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2,(H,18,19,20).
What are the key properties of 8-[(benzylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one?
8-[(benzylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 266.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(benzylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135567116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).