5-amino-1H-pyrimido[4,5-d]pyrimidin-2-one

C6H5N5O — CID 131845643

IUPAC5-amino-1H-pyrimido[4,5-d]pyrimidin-2-one
SMILESNc1ncnc2[nH]c(=O)ncc12
InChIInChI=1S/C6H5N5O/c7-4-3-1-8-6(12)11-5(3)10-2-9-4/h1-2H,(H3,7,8,9,10,11,12)
InChIKeyPDPVDZHRHOOZNN-UHFFFAOYSA-N
MW163.14 g/mol
LogP-0.70
Rot. Bonds

About 5-amino-1H-pyrimido[4,5-d]pyrimidin-2-one

5-amino-1H-pyrimido[4,5-d]pyrimidin-2-one (PubChem CID 131845643) has the molecular formula C6H5N5O and a molecular weight of 163.14 g/mol. Its IUPAC name is 5-amino-1H-pyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-amino-1H-pyrimido[4,5-d]pyrimidin-2-one
PubChem CID131845643
Molecular FormulaC6H5N5O
Molecular Weight163.14 g/mol
Exact Mass163.05
IUPAC Name5-amino-1H-pyrimido[4,5-d]pyrimidin-2-one
SMILESNc1ncnc2[nH]c(=O)ncc12
InChIInChI=1S/C6H5N5O/c7-4-3-1-8-6(12)11-5(3)10-2-9-4/h1-2H,(H3,7,8,9,10,11,12)
InChIKeyPDPVDZHRHOOZNN-UHFFFAOYSA-N
XLogP-0.70
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1H-pyrimido[4,5-d]pyrimidin-2-one?
The IUPAC name of 5-amino-1H-pyrimido[4,5-d]pyrimidin-2-one (CID 131845643) is 5-amino-1H-pyrimido[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 5-amino-1H-pyrimido[4,5-d]pyrimidin-2-one?
The canonical SMILES for 5-amino-1H-pyrimido[4,5-d]pyrimidin-2-one is Nc1ncnc2[nH]c(=O)ncc12.
What is the InChIKey of 5-amino-1H-pyrimido[4,5-d]pyrimidin-2-one?
The InChIKey is PDPVDZHRHOOZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O/c7-4-3-1-8-6(12)11-5(3)10-2-9-4/h1-2H,(H3,7,8,9,10,11,12).
What are the key properties of 5-amino-1H-pyrimido[4,5-d]pyrimidin-2-one?
5-amino-1H-pyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 163.14 g/mol, XLogP of -0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1H-pyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 131845643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).