2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid

C10H15N3O3 — CID 135741829

IUPAC2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid
SMILESCCN(CC)c1nc(CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-3-13(4-2)10-11-7(6-9(15)16)5-8(14)12-10/h5H,3-4,6H2,1-2H3,(H,15,16)(H,11,12,14)
InChIKeyOTVDNDAYLQFKBM-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.24
Rot. Bonds5

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

2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid (PubChem CID 135741829) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid
PubChem CID135741829
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid
SMILESCCN(CC)c1nc(CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-3-13(4-2)10-11-7(6-9(15)16)5-8(14)12-10/h5H,3-4,6H2,1-2H3,(H,15,16)(H,11,12,14)
InChIKeyOTVDNDAYLQFKBM-UHFFFAOYSA-N
XLogP0.24
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135528313
3-(2-amino-4-methyl-6-oxopyrimidin-1(6H)-yl)propanoic acid
CID 281663
(2-Amino-6-oxo-3,6-dihydropyrimidin-4-yl)acetic acid
CID 135408643
4-Pyrimidineacetic acid, 2-((2,2-dimethyl-1-oxopropyl)amino)-1,6-dihydro-6-oxo-
CID 135744002
3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135778559
2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid
CID 135840404
4-Hydroxy-2-ethylaminopyrimidin-6-yl acetic acid
CID 135840405
methyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135850718
2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetamide
CID 135850719
ethyl 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135850722
ethyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135850724
2-(2,6-Dioxo-3-propylpyrimidin-4-yl)acetic acid
CID 251390

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid?
The IUPAC name of 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid (CID 135741829) is 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid?
The canonical SMILES for 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid is CCN(CC)c1nc(CC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid?
The InChIKey is OTVDNDAYLQFKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-13(4-2)10-11-7(6-9(15)16)5-8(14)12-10/h5H,3-4,6H2,1-2H3,(H,15,16)(H,11,12,14).
What are the key properties of 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid?
2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid is sourced from PubChem (CID 135741829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).