3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

C6H6N4O — CID 18425406

IUPAC3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
SMILESO=C1NCc2cncnc2N1
InChIInChI=1S/C6H6N4O/c11-6-8-2-4-1-7-3-9-5(4)10-6/h1,3H,2H2,(H2,7,8,9,10,11)
InChIKeyALFUUHHEXQAFKA-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.11
Rot. Bonds

About 3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one (PubChem CID 18425406) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
PubChem CID18425406
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
SMILESO=C1NCc2cncnc2N1
InChIInChI=1S/C6H6N4O/c11-6-8-2-4-1-7-3-9-5(4)10-6/h1,3H,2H2,(H2,7,8,9,10,11)
InChIKeyALFUUHHEXQAFKA-UHFFFAOYSA-N
XLogP0.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one?
The IUPAC name of 3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one (CID 18425406) is 3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one?
The canonical SMILES for 3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one is O=C1NCc2cncnc2N1.
What is the InChIKey of 3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one?
The InChIKey is ALFUUHHEXQAFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c11-6-8-2-4-1-7-3-9-5(4)10-6/h1,3H,2H2,(H2,7,8,9,10,11).
What are the key properties of 3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one?
3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 150.14 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 18425406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).