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

C6H8N4O3 — CID 136958443

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESNc1c(NCC(=O)O)nc[nH]c1=O
InChIInChI=1S/C6H8N4O3/c7-4-5(8-1-3(11)12)9-2-10-6(4)13/h2H,1,7H2,(H,11,12)(H2,8,9,10,13)
InChIKeyOOSACYPUBWJGJB-UHFFFAOYSA-N
MW184.16 g/mol
LogP-1.15
Rot. Bonds3

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

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958443) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958443
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESNc1c(NCC(=O)O)nc[nH]c1=O
InChIInChI=1S/C6H8N4O3/c7-4-5(8-1-3(11)12)9-2-10-6(4)13/h2H,1,7H2,(H,11,12)(H2,8,9,10,13)
InChIKeyOOSACYPUBWJGJB-UHFFFAOYSA-N
XLogP-1.15
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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)glycine Dihydrate
CID 139055557
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959228
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-oxo-7,8-dihydro-1H-purin-9-yl)acetic acid
CID 136441219
2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]acetic acid
CID 136612221
2-[(6,8-dioxo-7,9-dihydro-1H-purin-2-yl)amino]acetic acid
CID 136612634
2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 135860686
5-Amino-6-((2-hydroxyethyl)amino)pyrimidin-4(3H)-one
CID 136271508
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 136734034
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
CID 136958333

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958443) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is Nc1c(NCC(=O)O)nc[nH]c1=O.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is OOSACYPUBWJGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c7-4-5(8-1-3(11)12)9-2-10-6(4)13/h2H,1,7H2,(H,11,12)(H2,8,9,10,13).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 184.16 g/mol, XLogP of -1.15, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).