1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one

C7H8N4O — CID 18425503

IUPAC1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
SMILESCN1C(=O)NCc2cncnc21
InChIInChI=1S/C7H8N4O/c1-11-6-5(2-8-4-10-6)3-9-7(11)12/h2,4H,3H2,1H3,(H,9,12)
InChIKeyKTQLYUNPPPICFN-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.14
Rot. Bonds

About 1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one

1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one (PubChem CID 18425503) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
PubChem CID18425503
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
SMILESCN1C(=O)NCc2cncnc21
InChIInChI=1S/C7H8N4O/c1-11-6-5(2-8-4-10-6)3-9-7(11)12/h2,4H,3H2,1H3,(H,9,12)
InChIKeyKTQLYUNPPPICFN-UHFFFAOYSA-N
XLogP0.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
The IUPAC name of 1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one (CID 18425503) is 1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
The canonical SMILES for 1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one is CN1C(=O)NCc2cncnc21.
What is the InChIKey of 1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
The InChIKey is KTQLYUNPPPICFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-11-6-5(2-8-4-10-6)3-9-7(11)12/h2,4H,3H2,1H3,(H,9,12).
What are the key properties of 1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 164.17 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 18425503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).