2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid

C11H16N4O3 — CID 107423918

IUPAC2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)c1cncnc1
InChIInChI=1S/C11H16N4O3/c1-14(2)3-4-15(7-10(16)17)11(18)9-5-12-8-13-6-9/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyQUWPISTXSUPZTO-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.44
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid (PubChem CID 107423918) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid
PubChem CID107423918
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)c1cncnc1
InChIInChI=1S/C11H16N4O3/c1-14(2)3-4-15(7-10(16)17)11(18)9-5-12-8-13-6-9/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyQUWPISTXSUPZTO-UHFFFAOYSA-N
XLogP-0.44
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-2-oxoethyl)-(pyrimidine-5-carbonyl)amino]acetic acid
CID 107434520
2-[2-(dimethylamino)ethyl-[4-(hydroxymethyl)benzoyl]amino]acetic acid
CID 107423647
2-[2-(dimethylamino)ethyl-(5-methylfuran-3-carbonyl)amino]acetic acid
CID 107424105
2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid
CID 113264836
2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107423977
methyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate
CID 104626674
2-[1,3-benzodioxole-5-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802773
2-[2-(dimethylamino)ethyl-(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid
CID 107423686
2-[(6-aminopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 121495268
2-[2-(dimethylamino)ethyl-(2-methyl-5-methylsulfanylbenzoyl)amino]acetic acid
CID 103802836
2-[2-(dimethylamino)ethyl-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]acetic acid
CID 103802838
2-[(2-chloro-5-methylsulfanylbenzoyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802576

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid (CID 107423918) is 2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid is CN(C)CCN(CC(=O)O)C(=O)c1cncnc1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid?
The InChIKey is QUWPISTXSUPZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-14(2)3-4-15(7-10(16)17)11(18)9-5-12-8-13-6-9/h5-6,8H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid has a molecular weight of 252.27 g/mol, XLogP of -0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 107423918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).