1,7-dimethyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one

C8H10N4O — CID 121388803

IUPAC1,7-dimethyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
SMILESCc1ncc2c(n1)N(C)C(=O)NC2
InChIInChI=1S/C8H10N4O/c1-5-9-3-6-4-10-8(13)12(2)7(6)11-5/h3H,4H2,1-2H3,(H,10,13)
InChIKeyOPZXYPBCVATTPX-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.44
Rot. Bonds

About 1,7-dimethyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one

1,7-dimethyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one (PubChem CID 121388803) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 1,7-dimethyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name1,7-dimethyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
PubChem CID121388803
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name1,7-dimethyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
SMILESCc1ncc2c(n1)N(C)C(=O)NC2
InChIInChI=1S/C8H10N4O/c1-5-9-3-6-4-10-8(13)12(2)7(6)11-5/h3H,4H2,1-2H3,(H,10,13)
InChIKeyOPZXYPBCVATTPX-UHFFFAOYSA-N
XLogP0.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
The IUPAC name of 1,7-dimethyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one (CID 121388803) is 1,7-dimethyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 1,7-dimethyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
The canonical SMILES for 1,7-dimethyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one is Cc1ncc2c(n1)N(C)C(=O)NC2.
What is the InChIKey of 1,7-dimethyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
The InChIKey is OPZXYPBCVATTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5-9-3-6-4-10-8(13)12(2)7(6)11-5/h3H,4H2,1-2H3,(H,10,13).
What are the key properties of 1,7-dimethyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
1,7-dimethyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 178.19 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 121388803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).