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

C6H4N4O — CID 11240565

IUPAC1H-pyrimido[4,5-d]pyrimidin-2-one
SMILESO=c1ncc2cncnc2[nH]1
InChIInChI=1S/C6H4N4O/c11-6-8-2-4-1-7-3-9-5(4)10-6/h1-3H,(H,7,8,9,10,11)
InChIKeyJPOJBQLUJAIHHL-UHFFFAOYSA-N
MW148.12 g/mol
LogP-0.29
Rot. Bonds

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

1H-pyrimido[4,5-d]pyrimidin-2-one (PubChem CID 11240565) has the molecular formula C6H4N4O and a molecular weight of 148.12 g/mol. Its IUPAC name is 1H-pyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name1H-pyrimido[4,5-d]pyrimidin-2-one
PubChem CID11240565
Molecular FormulaC6H4N4O
Molecular Weight148.12 g/mol
Exact Mass148.04
IUPAC Name1H-pyrimido[4,5-d]pyrimidin-2-one
SMILESO=c1ncc2cncnc2[nH]1
InChIInChI=1S/C6H4N4O/c11-6-8-2-4-1-7-3-9-5(4)10-6/h1-3H,(H,7,8,9,10,11)
InChIKeyJPOJBQLUJAIHHL-UHFFFAOYSA-N
XLogP-0.29
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrimido[4,5-d]pyrimidin-2-one?
The IUPAC name of 1H-pyrimido[4,5-d]pyrimidin-2-one (CID 11240565) is 1H-pyrimido[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 1H-pyrimido[4,5-d]pyrimidin-2-one?
The canonical SMILES for 1H-pyrimido[4,5-d]pyrimidin-2-one is O=c1ncc2cncnc2[nH]1.
What is the InChIKey of 1H-pyrimido[4,5-d]pyrimidin-2-one?
The InChIKey is JPOJBQLUJAIHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O/c11-6-8-2-4-1-7-3-9-5(4)10-6/h1-3H,(H,7,8,9,10,11).
What are the key properties of 1H-pyrimido[4,5-d]pyrimidin-2-one?
1H-pyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 148.12 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 11240565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).