2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid;methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate

C15H18N4O8 — CID 158182724

IUPAC2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid;methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate
SMILESCOC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O.Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)O
InChIInChI=1S/C8H10N2O4.C7H8N2O4/c1-4-5(3-6(11)14-2)7(12)10-8(13)9-4;1-3-4(2-5(10)11)6(12)9-7(13)8-3/h3H2,1-2H3,(H2,9,10,12,13);2H2,1H3,(H,10,11)(H2,8,9,12,13)
InChIKeyFYUFQVVACZSERG-UHFFFAOYSA-N
MW382.33 g/mol
LogP-1.91
Rot. Bonds4

About 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid;methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate

2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid;methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate (PubChem CID 158182724) has the molecular formula C15H18N4O8 and a molecular weight of 382.33 g/mol. Its IUPAC name is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid;methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate.

Molecular Properties

Compound Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid;methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate
PubChem CID158182724
Molecular FormulaC15H18N4O8
Molecular Weight382.33 g/mol
Exact Mass382.11
IUPAC Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid;methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate
SMILESCOC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O.Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)O
InChIInChI=1S/C8H10N2O4.C7H8N2O4/c1-4-5(3-6(11)14-2)7(12)10-8(13)9-4;1-3-4(2-5(10)11)6(12)9-7(13)8-3/h3H2,1-2H3,(H2,9,10,12,13);2H2,1H3,(H,10,11)(H2,8,9,12,13)
InChIKeyFYUFQVVACZSERG-UHFFFAOYSA-N
XLogP-1.91
TPSA195.04 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 5-1.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid;methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate?
The IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid;methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate (CID 158182724) is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid;methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate.
What is the SMILES notation for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid;methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate?
The canonical SMILES for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid;methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate is COC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O.Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)O.
What is the InChIKey of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid;methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate?
The InChIKey is FYUFQVVACZSERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4.C7H8N2O4/c1-4-5(3-6(11)14-2)7(12)10-8(13)9-4;1-3-4(2-5(10)11)6(12)9-7(13)8-3/h3H2,1-2H3,(H2,9,10,12,13);2H2,1H3,(H,10,11)(H2,8,9,12,13).
What are the key properties of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid;methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate?
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid;methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate has a molecular weight of 382.33 g/mol, XLogP of -1.91, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid;methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate is sourced from PubChem (CID 158182724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).