ethane;1-methyl-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one

C9H16N4O — CID 143349850

IUPACethane;1-methyl-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one
SMILESCC.CN1C=NCC2=C1NCNC2=O
InChIInChI=1S/C7H10N4O.C2H6/c1-11-4-8-2-5-6(11)9-3-10-7(5)12;1-2/h4,9H,2-3H2,1H3,(H,10,12);1-2H3
InChIKeyFUERCVMMNGIZFB-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.13
Rot. Bonds

About ethane;1-methyl-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one

ethane;1-methyl-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one (PubChem CID 143349850) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is ethane;1-methyl-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one.

Molecular Properties

Compound Nameethane;1-methyl-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one
PubChem CID143349850
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Nameethane;1-methyl-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one
SMILESCC.CN1C=NCC2=C1NCNC2=O
InChIInChI=1S/C7H10N4O.C2H6/c1-11-4-8-2-5-6(11)9-3-10-7(5)12;1-2/h4,9H,2-3H2,1H3,(H,10,12);1-2H3
InChIKeyFUERCVMMNGIZFB-UHFFFAOYSA-N
XLogP-0.13
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one?
The IUPAC name of ethane;1-methyl-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one (CID 143349850) is ethane;1-methyl-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one.
What is the SMILES notation for ethane;1-methyl-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one?
The canonical SMILES for ethane;1-methyl-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one is CC.CN1C=NCC2=C1NCNC2=O.
What is the InChIKey of ethane;1-methyl-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one?
The InChIKey is FUERCVMMNGIZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O.C2H6/c1-11-4-8-2-5-6(11)9-3-10-7(5)12;1-2/h4,9H,2-3H2,1H3,(H,10,12);1-2H3.
What are the key properties of ethane;1-methyl-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one?
ethane;1-methyl-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one has a molecular weight of 196.25 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one is sourced from PubChem (CID 143349850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).