methyl 2-[(5-aminopyrimidin-4-yl)amino]acetate

C7H10N4O2 — CID 79908313

IUPACmethyl 2-[(5-aminopyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1ncncc1N
InChIInChI=1S/C7H10N4O2/c1-13-6(12)3-10-7-5(8)2-9-4-11-7/h2,4H,3,8H2,1H3,(H,9,10,11)
InChIKeyWHSXGQYDMRRDGO-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.36
Rot. Bonds3

About methyl 2-[(5-aminopyrimidin-4-yl)amino]acetate

methyl 2-[(5-aminopyrimidin-4-yl)amino]acetate (PubChem CID 79908313) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 2-[(5-aminopyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-aminopyrimidin-4-yl)amino]acetate
PubChem CID79908313
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Namemethyl 2-[(5-aminopyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1ncncc1N
InChIInChI=1S/C7H10N4O2/c1-13-6(12)3-10-7-5(8)2-9-4-11-7/h2,4H,3,8H2,1H3,(H,9,10,11)
InChIKeyWHSXGQYDMRRDGO-UHFFFAOYSA-N
XLogP-0.36
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(5-aminopyrimidin-4-yl)amino]propanoate
CID 79918514
N-[2-[(5-aminopyrimidin-4-yl)amino]ethyl]acetamide
CID 79917896
3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 113409561
2-[(5-methoxypyrimidin-4-yl)amino]acetamide
CID 130543339
4-N-(2-methylsulfonylethyl)pyrimidine-4,5-diamine
CID 79915723
4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine
CID 79918333
methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate
CID 62832047
2-[(5-aminopyrimidin-4-yl)amino]-N-methylpropanamide
CID 79918137
4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine
CID 79918826
methyl 2-(2-amino-4,5-dimethoxyanilino)acetate
CID 83001432
methyl 2-[(5-amino-7-chloroisoquinolin-1-yl)amino]acetate
CID 82570466
1-[[(5-aminopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 79916056

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-aminopyrimidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(5-aminopyrimidin-4-yl)amino]acetate (CID 79908313) is methyl 2-[(5-aminopyrimidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-aminopyrimidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(5-aminopyrimidin-4-yl)amino]acetate is COC(=O)CNc1ncncc1N.
What is the InChIKey of methyl 2-[(5-aminopyrimidin-4-yl)amino]acetate?
The InChIKey is WHSXGQYDMRRDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-13-6(12)3-10-7-5(8)2-9-4-11-7/h2,4H,3,8H2,1H3,(H,9,10,11).
What are the key properties of methyl 2-[(5-aminopyrimidin-4-yl)amino]acetate?
methyl 2-[(5-aminopyrimidin-4-yl)amino]acetate has a molecular weight of 182.18 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-aminopyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 79908313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).