methane;2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid

C8H12N2O4 — CID 134814307

IUPACmethane;2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESC.Cc1cn(CC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4.CH4/c1-4-2-9(3-5(10)11)7(13)8-6(4)12;/h2H,3H2,1H3,(H,10,11)(H,8,12,13);1H4
InChIKeyMUBLINLFYQCHTG-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.43
Rot. Bonds2

About methane;2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid

methane;2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid (PubChem CID 134814307) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is methane;2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Namemethane;2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid
PubChem CID134814307
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Namemethane;2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESC.Cc1cn(CC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4.CH4/c1-4-2-9(3-5(10)11)7(13)8-6(4)12;/h2H,3H2,1H3,(H,10,11)(H,8,12,13);1H4
InChIKeyMUBLINLFYQCHTG-UHFFFAOYSA-N
XLogP-0.43
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 853753
Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 565853
3-(2-Carboxyethyl)thymine
CID 173282
3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid
CID 1519563
Methyl 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 3757668
(6-Hydroxy-1,3-Dimethyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidine-5-Carbonyl)glycine
CID 131700132
N1-tert-butyloxycarbonylmethylthymine
CID 12162660
ThyPropOate
CID 15138291
n3-Carboxymethylthymine
CID 15747554
Thymine acetic acid
CID 22007969
2-[2-(5-Methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]acetic acid
CID 89904170
Thyminsaure
CID 90017392

Frequently Asked Questions

What is the IUPAC name of methane;2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid?
The IUPAC name of methane;2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid (CID 134814307) is methane;2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for methane;2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid?
The canonical SMILES for methane;2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid is C.Cc1cn(CC(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of methane;2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid?
The InChIKey is MUBLINLFYQCHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4.CH4/c1-4-2-9(3-5(10)11)7(13)8-6(4)12;/h2H,3H2,1H3,(H,10,11)(H,8,12,13);1H4.
What are the key properties of methane;2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid?
methane;2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid has a molecular weight of 200.19 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 134814307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).