2-amino-6-benzyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C14H16N4O — CID 135441852

IUPAC2-amino-6-benzyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C14H16N4O/c15-14-16-12-6-7-18(9-11(12)13(19)17-14)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H3,15,16,17,19)
InChIKeyLLTVQQOAWCNPMD-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.91
Rot. Bonds2

About 2-amino-6-benzyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-amino-6-benzyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135441852) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-amino-6-benzyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-benzyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135441852
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-amino-6-benzyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C14H16N4O/c15-14-16-12-6-7-18(9-11(12)13(19)17-14)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H3,15,16,17,19)
InChIKeyLLTVQQOAWCNPMD-UHFFFAOYSA-N
XLogP0.91
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-benzyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-benzyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135441852) is 2-amino-6-benzyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-benzyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-benzyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Nc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 2-amino-6-benzyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LLTVQQOAWCNPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-14-16-12-6-7-18(9-11(12)13(19)17-14)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H3,15,16,17,19).
What are the key properties of 2-amino-6-benzyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-amino-6-benzyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 256.31 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-benzyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135441852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).