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

C7H9N3O4 — CID 135840568

IUPAC2-[(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)oxy]acetic acid
SMILESCc1nc(N)c(OCC(=O)O)c(=O)[nH]1
InChIInChI=1S/C7H9N3O4/c1-3-9-6(8)5(7(13)10-3)14-2-4(11)12/h2H2,1H3,(H,11,12)(H3,8,9,10,13)
InChIKeyMQWIXXOFZUVDMN-UHFFFAOYSA-N
MW199.17 g/mol
LogP-0.88
Rot. Bonds3

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

2-[(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)oxy]acetic acid (PubChem CID 135840568) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-[(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)oxy]acetic acid
PubChem CID135840568
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name2-[(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)oxy]acetic acid
SMILESCc1nc(N)c(OCC(=O)O)c(=O)[nH]1
InChIInChI=1S/C7H9N3O4/c1-3-9-6(8)5(7(13)10-3)14-2-4(11)12/h2H2,1H3,(H,11,12)(H3,8,9,10,13)
InChIKeyMQWIXXOFZUVDMN-UHFFFAOYSA-N
XLogP-0.88
TPSA118.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one
CID 137286206
4-amino-5-fluoro-2-methyl-1H-pyrimidin-6-one
CID 135415817
2-(4,6-dimethylpyrimidin-5-yl)oxyacetic acid
CID 18410274
ethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
CID 136655437
2-oxopropyl 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 42978314
2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]acetic acid
CID 57331008
2-(4-amino-2-bromo-6-methylphenoxy)acetic acid
CID 130156250
2-[[11,17,23-tris(carboxymethoxy)-4,6,10,12,16,18,22,24,25,26,27,28-dodecamethyl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetic acid
CID 10463167
4-[(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-oxobutanoic acid
CID 135719395
5-(4-amino-2-methyl-1H-imidazol-5-yl)-2-methyl-1H-imidazol-4-amine
CID 166610683
2-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-(3,4-diethoxyphenyl)-2-methylpropyl]acetamide
CID 136773107
5-ethyl-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 82097101

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)oxy]acetic acid?
The IUPAC name of 2-[(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)oxy]acetic acid (CID 135840568) is 2-[(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)oxy]acetic acid?
The canonical SMILES for 2-[(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)oxy]acetic acid is Cc1nc(N)c(OCC(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)oxy]acetic acid?
The InChIKey is MQWIXXOFZUVDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-3-9-6(8)5(7(13)10-3)14-2-4(11)12/h2H2,1H3,(H,11,12)(H3,8,9,10,13).
What are the key properties of 2-[(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)oxy]acetic acid?
2-[(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)oxy]acetic acid has a molecular weight of 199.17 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)oxy]acetic acid is sourced from PubChem (CID 135840568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).