methyl 2-(1,3-dimethyl-2,4-dioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl)acetate

C11H16N4O4 — CID 20866970

IUPACmethyl 2-(1,3-dimethyl-2,4-dioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl)acetate
SMILESCOC(=O)CN1CNc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C11H16N4O4/c1-13-9-7(10(17)14(2)11(13)18)4-15(6-12-9)5-8(16)19-3/h12H,4-6H2,1-3H3
InChIKeyZNUGJIHBSXVTEV-UHFFFAOYSA-N
MW268.27 g/mol
LogP-1.56
Rot. Bonds2

About methyl 2-(1,3-dimethyl-2,4-dioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl)acetate

methyl 2-(1,3-dimethyl-2,4-dioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl)acetate (PubChem CID 20866970) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is methyl 2-(1,3-dimethyl-2,4-dioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1,3-dimethyl-2,4-dioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl)acetate
PubChem CID20866970
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Namemethyl 2-(1,3-dimethyl-2,4-dioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl)acetate
SMILESCOC(=O)CN1CNc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C11H16N4O4/c1-13-9-7(10(17)14(2)11(13)18)4-15(6-12-9)5-8(16)19-3/h12H,4-6H2,1-3H3
InChIKeyZNUGJIHBSXVTEV-UHFFFAOYSA-N
XLogP-1.56
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-(1,3-dimethyl-2,4-dioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl)acetate with MolForge

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Related Compounds

1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 667038
6-(2-methoxyethyl)-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 1832556
6-(2-Methoxyethyl)-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione
CID 1832555
Methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate
CID 28611587
methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetate
CID 43404741
methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetate
CID 43407388
methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-ethylamino]acetate
CID 54998415
methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate
CID 55006299
Ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate
CID 60811076
ethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate
CID 61007704
methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953309
Tert-butyl 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-10,12-dioxo-1,3,5,7,11-pentazatricyclo[7.3.1.05,13]tridec-9(13)-en-7-yl]acetate
CID 71615779

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-dimethyl-2,4-dioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl)acetate?
The IUPAC name of methyl 2-(1,3-dimethyl-2,4-dioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl)acetate (CID 20866970) is methyl 2-(1,3-dimethyl-2,4-dioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl)acetate.
What is the SMILES notation for methyl 2-(1,3-dimethyl-2,4-dioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl)acetate?
The canonical SMILES for methyl 2-(1,3-dimethyl-2,4-dioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl)acetate is COC(=O)CN1CNc2c(c(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of methyl 2-(1,3-dimethyl-2,4-dioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl)acetate?
The InChIKey is ZNUGJIHBSXVTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-13-9-7(10(17)14(2)11(13)18)4-15(6-12-9)5-8(16)19-3/h12H,4-6H2,1-3H3.
What are the key properties of methyl 2-(1,3-dimethyl-2,4-dioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl)acetate?
methyl 2-(1,3-dimethyl-2,4-dioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl)acetate has a molecular weight of 268.27 g/mol, XLogP of -1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-dimethyl-2,4-dioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl)acetate is sourced from PubChem (CID 20866970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).