2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid

C7H9N3O4 — CID 150397041

IUPAC2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid
SMILESCc1[nH]c(=O)[nH]c(=O)c1NCC(=O)O
InChIInChI=1S/C7H9N3O4/c1-3-5(8-2-4(11)12)6(13)10-7(14)9-3/h8H,2H2,1H3,(H,11,12)(H2,9,10,13,14)
InChIKeyHCYQTNUNMRYQLZ-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.13
Rot. Bonds3

About 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid

2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid (PubChem CID 150397041) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid
PubChem CID150397041
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid
SMILESCc1[nH]c(=O)[nH]c(=O)c1NCC(=O)O
InChIInChI=1S/C7H9N3O4/c1-3-5(8-2-4(11)12)6(13)10-7(14)9-3/h8H,2H2,1H3,(H,11,12)(H2,9,10,13,14)
InChIKeyHCYQTNUNMRYQLZ-UHFFFAOYSA-N
XLogP-1.13
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 13926003
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CID 129879518
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CID 313547
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CID 325906
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CID 126476298
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CID 155823021
CID 155823021

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid?
The IUPAC name of 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid (CID 150397041) is 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid?
The canonical SMILES for 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid is Cc1[nH]c(=O)[nH]c(=O)c1NCC(=O)O.
What is the InChIKey of 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid?
The InChIKey is HCYQTNUNMRYQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-3-5(8-2-4(11)12)6(13)10-7(14)9-3/h8H,2H2,1H3,(H,11,12)(H2,9,10,13,14).
What are the key properties of 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid?
2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid has a molecular weight of 199.17 g/mol, XLogP of -1.13, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid is sourced from PubChem (CID 150397041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).