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

C7H10N4O3 — CID 136958333

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1nc[nH]c(=O)c1N
InChIInChI=1S/C7H10N4O3/c1-11(2-4(12)13)6-5(8)7(14)10-3-9-6/h3H,2,8H2,1H3,(H,12,13)(H,9,10,14)
InChIKeyJPPCCABEGMGTRL-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.13
Rot. Bonds3

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

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid (PubChem CID 136958333) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
PubChem CID136958333
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1nc[nH]c(=O)c1N
InChIInChI=1S/C7H10N4O3/c1-11(2-4(12)13)6-5(8)7(14)10-3-9-6/h3H,2,8H2,1H3,(H,12,13)(H,9,10,14)
InChIKeyJPPCCABEGMGTRL-UHFFFAOYSA-N
XLogP-1.13
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
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
2,5-Diamino-6-((2-hydroxyethyl)amino)-3-methylpyrimidin-4(3H)-one
CID 70633393
2-(9-methyl-6,8-dioxo-7H-purin-1-yl)acetic acid
CID 118436924
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-[(2-Amino-1-methyl-5-nitro-6-oxopyrimidin-4-yl)amino]acetic acid
CID 21815541
5-amino-4-[ethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 135568293
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 136734034
2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734036

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid (CID 136958333) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid is CN(CC(=O)O)c1nc[nH]c(=O)c1N.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid?
The InChIKey is JPPCCABEGMGTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-11(2-4(12)13)6-5(8)7(14)10-3-9-6/h3H,2,8H2,1H3,(H,12,13)(H,9,10,14).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid has a molecular weight of 198.18 g/mol, XLogP of -1.13, 3 rotatable bonds, 3 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)-methylamino]acetic acid is sourced from PubChem (CID 136958333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).