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

C7H10N4O3 — CID 136973718

IUPACmethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H10N4O3/c1-14-4(12)2-9-6-5(8)7(13)11-3-10-6/h3H,2,8H2,1H3,(H2,9,10,11,13)
InChIKeyPWYFGCCJYXZLSJ-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.06
Rot. Bonds3

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

methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate (PubChem CID 136973718) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate
PubChem CID136973718
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Namemethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H10N4O3/c1-14-4(12)2-9-6-5(8)7(13)11-3-10-6/h3H,2,8H2,1H3,(H2,9,10,11,13)
InChIKeyPWYFGCCJYXZLSJ-UHFFFAOYSA-N
XLogP-1.06
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
[C-[[4-(ethylamino)-5-(methylamino)-6-oxopyrimidin-1-yl]methyl]-N-methylcarbonimidoyl] acetate
CID 142358029
5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one
CID 135568296
5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 135575674
5-amino-4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 135575729
5-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
CID 136713917
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 136734034
5-amino-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820289
5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870578
methyl 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136955985
methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136955987

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate (CID 136973718) is methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate is COC(=O)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The InChIKey is PWYFGCCJYXZLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-14-4(12)2-9-6-5(8)7(13)11-3-10-6/h3H,2,8H2,1H3,(H2,9,10,11,13).
What are the key properties of methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate has a molecular weight of 198.18 g/mol, XLogP of -1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 136973718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).