2-methylidenebutanedioic acid;5-methyl-1H-pyrimidine-2,4-dione

C10H12N2O6 — CID 118238904

IUPAC2-methylidenebutanedioic acid;5-methyl-1H-pyrimidine-2,4-dione
SMILESC=C(CC(=O)O)C(=O)O.Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H6N2O2.C5H6O4/c1-3-2-6-5(9)7-4(3)8;1-3(5(8)9)2-4(6)7/h2H,1H3,(H2,6,7,8,9);1-2H2,(H,6,7)(H,8,9)
InChIKeyXHEVUOMZOKVJKA-UHFFFAOYSA-N
MW256.21 g/mol
LogP-0.53
Rot. Bonds3

About 2-methylidenebutanedioic acid;5-methyl-1H-pyrimidine-2,4-dione

2-methylidenebutanedioic acid;5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 118238904) has the molecular formula C10H12N2O6 and a molecular weight of 256.21 g/mol. Its IUPAC name is 2-methylidenebutanedioic acid;5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name2-methylidenebutanedioic acid;5-methyl-1H-pyrimidine-2,4-dione
PubChem CID118238904
Molecular FormulaC10H12N2O6
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Name2-methylidenebutanedioic acid;5-methyl-1H-pyrimidine-2,4-dione
SMILESC=C(CC(=O)O)C(=O)O.Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H6N2O2.C5H6O4/c1-3-2-6-5(9)7-4(3)8;1-3(5(8)9)2-4(6)7/h2H,1H3,(H2,6,7,8,9);1-2H2,(H,6,7)(H,8,9)
InChIKeyXHEVUOMZOKVJKA-UHFFFAOYSA-N
XLogP-0.53
TPSA140.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1H-pyrimidine-2,4-dione;oxalic acid
CID 163712906
CID 172781007
CID 172781007
CID 158810794
CID 158810794
5-methyl-1H-pyrimidine-2,4-dione;5-prop-1-ynyl-1H-pyrimidine-2,4-dione
CID 71257280
5-[(3-methylbut-3-enylamino)methyl]-1H-pyrimidine-2,4-dione
CID 90220584
2-methylbuta-1,3-diene;2-methylidenebutanedioic acid
CID 162113299
9-(2,4-dioxo-1H-pyrimidin-5-yl)-8-oxononanoic acid
CID 159678656
3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxypropanoic acid
CID 130387264
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetic acid
CID 28773328
2-[ethyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
CID 61021112
acetylene;2-methylidenebutanedioic acid;urea
CID 157377951
ethane;5-hydroxy-1H-pyrimidine-2,4-dione
CID 145004805

Frequently Asked Questions

What is the IUPAC name of 2-methylidenebutanedioic acid;5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 2-methylidenebutanedioic acid;5-methyl-1H-pyrimidine-2,4-dione (CID 118238904) is 2-methylidenebutanedioic acid;5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 2-methylidenebutanedioic acid;5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 2-methylidenebutanedioic acid;5-methyl-1H-pyrimidine-2,4-dione is C=C(CC(=O)O)C(=O)O.Cc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-methylidenebutanedioic acid;5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is XHEVUOMZOKVJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.C5H6O4/c1-3-2-6-5(9)7-4(3)8;1-3(5(8)9)2-4(6)7/h2H,1H3,(H2,6,7,8,9);1-2H2,(H,6,7)(H,8,9).
What are the key properties of 2-methylidenebutanedioic acid;5-methyl-1H-pyrimidine-2,4-dione?
2-methylidenebutanedioic acid;5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 256.21 g/mol, XLogP of -0.53, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenebutanedioic acid;5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 118238904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).