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

C10H16N4O3 — CID 136734036

IUPAC2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H16N4O3/c1-13(2)3-4-14(6-10(16)17)8-5-9(15)12-7-11-8/h5,7H,3-4,6H2,1-2H3,(H,16,17)(H,11,12,15)
InChIKeyHFFMNMKAXYUSHP-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.78
Rot. Bonds6

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

2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136734036) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136734036
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H16N4O3/c1-13(2)3-4-14(6-10(16)17)8-5-9(15)12-7-11-8/h5,7H,3-4,6H2,1-2H3,(H,16,17)(H,11,12,15)
InChIKeyHFFMNMKAXYUSHP-UHFFFAOYSA-N
XLogP-0.78
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136734036) is 2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is CN(C)CCN(CC(=O)O)c1cc(=O)[nH]cn1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is HFFMNMKAXYUSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-13(2)3-4-14(6-10(16)17)8-5-9(15)12-7-11-8/h5,7H,3-4,6H2,1-2H3,(H,16,17)(H,11,12,15).
What are the key properties of 2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 240.26 g/mol, XLogP of -0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136734036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).