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

C6H7N5O4 — CID 135860686

IUPAC2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESNc1nc(NCC(=O)O)c(N=O)c(=O)[nH]1
InChIInChI=1S/C6H7N5O4/c7-6-9-4(8-1-2(12)13)3(11-15)5(14)10-6/h1H2,(H,12,13)(H4,7,8,9,10,14)
InChIKeyILQIWYXTZUGGTD-UHFFFAOYSA-N
MW213.15 g/mol
LogP-0.75
Rot. Bonds4

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

2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 135860686) has the molecular formula C6H7N5O4 and a molecular weight of 213.15 g/mol. Its IUPAC name is 2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID135860686
Molecular FormulaC6H7N5O4
Molecular Weight213.15 g/mol
Exact Mass213.05
IUPAC Name2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESNc1nc(NCC(=O)O)c(N=O)c(=O)[nH]1
InChIInChI=1S/C6H7N5O4/c7-6-9-4(8-1-2(12)13)3(11-15)5(14)10-6/h1H2,(H,12,13)(H4,7,8,9,10,14)
InChIKeyILQIWYXTZUGGTD-UHFFFAOYSA-N
XLogP-0.75
TPSA150.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]-3-hydroxypropanoic acid
CID 136274371
2-Amino-6-((2-hydroxyethyl)amino)-5-nitroso-4-pyrimidinol
CID 135444420
N-(6-amino-3-methyl-5-nitroso-4-oxo-3,4-dihydropyrimidin-2-yl)alanine
CID 6712239
N-(6-amino-3-methyl-5-nitroso-4-oxo-3,4-dihydropyrimidin-2-yl)glycine
CID 402907
N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycylglycinate
CID 101117450
N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycine Dihydrate
CID 139055557
2-[(4-Amino-1-methyl-5-nitroso-6-oxo-pyrimidin-2-yl)amino]propanoic acid
CID 378837
potassium (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]propanoic acid
CID 54602106
2-[(4-amino-5-nitroso-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid
CID 136085310
2-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)acetic acid
CID 136388110
2-[(6,8-dioxo-7,9-dihydro-1H-purin-2-yl)amino]acetic acid
CID 136612634
CID 6331251
CID 6331251

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 135860686) is 2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is Nc1nc(NCC(=O)O)c(N=O)c(=O)[nH]1.
What is the InChIKey of 2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is ILQIWYXTZUGGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O4/c7-6-9-4(8-1-2(12)13)3(11-15)5(14)10-6/h1H2,(H,12,13)(H4,7,8,9,10,14).
What are the key properties of 2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 213.15 g/mol, XLogP of -0.75, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 135860686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).