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

C7H8N4O — CID 82414948

IUPAC4-amino-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESNc1ncnc2c1CCC(=O)N2
InChIInChI=1S/C7H8N4O/c8-6-4-1-2-5(12)11-7(4)10-3-9-6/h3H,1-2H2,(H3,8,9,10,11,12)
InChIKeyHWNDCEJEJNOXEC-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.06
Rot. Bonds

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

4-amino-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 82414948) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 4-amino-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-amino-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID82414948
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name4-amino-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESNc1ncnc2c1CCC(=O)N2
InChIInChI=1S/C7H8N4O/c8-6-4-1-2-5(12)11-7(4)10-3-9-6/h3H,1-2H2,(H3,8,9,10,11,12)
InChIKeyHWNDCEJEJNOXEC-UHFFFAOYSA-N
XLogP-0.06
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 ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-amino-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 82414948) is 4-amino-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-amino-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-amino-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is Nc1ncnc2c1CCC(=O)N2.
What is the InChIKey of 4-amino-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HWNDCEJEJNOXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c8-6-4-1-2-5(12)11-7(4)10-3-9-6/h3H,1-2H2,(H3,8,9,10,11,12).
What are the key properties of 4-amino-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-amino-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 164.17 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 82414948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).