2-amino-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C17H16N4O3 — CID 135861400

About 2-amino-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-amino-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135861400) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-amino-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-amino-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135861400
• Molecular Formula: C17H16N4O3
• Molecular Weight: 324.34 g/mol
• Exact Mass: 324.12
• IUPAC Name: 2-amino-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: Nc1nc2c(c(=O)[nH]1)CN(Cc1coc3ccccc3c1=O)CC2
• InChI: InChI=1S/C17H16N4O3/c18-17-19-13-5-6-21(8-12(13)16(23)20-17)7-10-9-24-14-4-2-1-3-11(14)15(10)22/h1-4,9H,5-8H2,(H3,18,19,20,23)
• InChIKey: MAFOHPIYRRHLRP-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 105.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.34
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 2-amino-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135861400) is 2-amino-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 2-amino-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 2-amino-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Nc1nc2c(c(=O)[nH]1)CN(Cc1coc3ccccc3c1=O)CC2.

What is the InChIKey of 2-amino-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is MAFOHPIYRRHLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c18-17-19-13-5-6-21(8-12(13)16(23)20-17)7-10-9-24-14-4-2-1-3-11(14)15(10)22/h1-4,9H,5-8H2,(H3,18,19,20,23).

What are the key properties of 2-amino-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

2-amino-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 324.34 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135861400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).