2-[(4,6-dimethoxypyrimidine-5-carbonyl)-methylamino]acetic acid

C10H13N3O5 — CID 119346513

IUPAC2-[(4,6-dimethoxypyrimidine-5-carbonyl)-methylamino]acetic acid
SMILESCOc1ncnc(OC)c1C(=O)N(C)CC(=O)O
InChIInChI=1S/C10H13N3O5/c1-13(4-6(14)15)10(16)7-8(17-2)11-5-12-9(7)18-3/h5H,4H2,1-3H3,(H,14,15)
InChIKeyHDTYYCATTFJXPL-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.35
Rot. Bonds5

About 2-[(4,6-dimethoxypyrimidine-5-carbonyl)-methylamino]acetic acid

2-[(4,6-dimethoxypyrimidine-5-carbonyl)-methylamino]acetic acid (PubChem CID 119346513) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[(4,6-dimethoxypyrimidine-5-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4,6-dimethoxypyrimidine-5-carbonyl)-methylamino]acetic acid
PubChem CID119346513
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[(4,6-dimethoxypyrimidine-5-carbonyl)-methylamino]acetic acid
SMILESCOc1ncnc(OC)c1C(=O)N(C)CC(=O)O
InChIInChI=1S/C10H13N3O5/c1-13(4-6(14)15)10(16)7-8(17-2)11-5-12-9(7)18-3/h5H,4H2,1-3H3,(H,14,15)
InChIKeyHDTYYCATTFJXPL-UHFFFAOYSA-N
XLogP-0.35
TPSA101.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid
CID 65432822
3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]butanoic acid
CID 119347873
2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid
CID 110465928
4,6-dimethoxy-N-methylpyrimidine-5-carboxamide
CID 144810689
2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid
CID 81283075
2-[[(4,6-dimethoxypyrimidine-5-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 120533256
2-[(2-fluoro-4,5-dimethoxybenzoyl)-methylamino]acetic acid
CID 119346216
2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid
CID 24711323
3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid
CID 120528815
2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate
CID 159109262
4-[[4-(dimethylamino)-6-methoxypyrimidin-5-yl]carbamoylamino]butanoic acid
CID 122087086
2-[(1,1-dioxothiolan-3-yl)-(6-methoxy-5-methylpyrimidin-4-yl)amino]acetic acid
CID 66332129

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxypyrimidine-5-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(4,6-dimethoxypyrimidine-5-carbonyl)-methylamino]acetic acid (CID 119346513) is 2-[(4,6-dimethoxypyrimidine-5-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(4,6-dimethoxypyrimidine-5-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(4,6-dimethoxypyrimidine-5-carbonyl)-methylamino]acetic acid is COc1ncnc(OC)c1C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[(4,6-dimethoxypyrimidine-5-carbonyl)-methylamino]acetic acid?
The InChIKey is HDTYYCATTFJXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-13(4-6(14)15)10(16)7-8(17-2)11-5-12-9(7)18-3/h5H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-[(4,6-dimethoxypyrimidine-5-carbonyl)-methylamino]acetic acid?
2-[(4,6-dimethoxypyrimidine-5-carbonyl)-methylamino]acetic acid has a molecular weight of 255.23 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxypyrimidine-5-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 119346513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).