2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C7H8N4O — CID 57424752

IUPAC2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESNc1ncc2c(n1)CCNC2=O
InChIInChI=1S/C7H8N4O/c8-7-10-3-4-5(11-7)1-2-9-6(4)12/h3H,1-2H2,(H,9,12)(H2,8,10,11)
InChIKeyCZOQBGHFZWUWPV-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.66
Rot. Bonds

About 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 57424752) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID57424752
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESNc1ncc2c(n1)CCNC2=O
InChIInChI=1S/C7H8N4O/c8-7-10-3-4-5(11-7)1-2-9-6(4)12/h3H,1-2H2,(H,9,12)(H2,8,10,11)
InChIKeyCZOQBGHFZWUWPV-UHFFFAOYSA-N
XLogP-0.66
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 57424752) is 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is Nc1ncc2c(n1)CCNC2=O.
What is the InChIKey of 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is CZOQBGHFZWUWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c8-7-10-3-4-5(11-7)1-2-9-6(4)12/h3H,1-2H2,(H,9,12)(H2,8,10,11).
What are the key properties of 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 164.17 g/mol, XLogP of -0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 57424752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).