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

C10H15N3O3 — CID 83864294

IUPAC2-[4-(diethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
SMILESCCN(CC)c1cc(CC(=O)O)[nH]c(=O)n1
InChIInChI=1S/C10H15N3O3/c1-3-13(4-2)8-5-7(6-9(14)15)11-10(16)12-8/h5H,3-4,6H2,1-2H3,(H,14,15)(H,11,12,16)
InChIKeyOTUMWXKITWKXDD-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.24
Rot. Bonds5

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

2-[4-(diethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid (PubChem CID 83864294) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[4-(diethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(diethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
PubChem CID83864294
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[4-(diethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
SMILESCCN(CC)c1cc(CC(=O)O)[nH]c(=O)n1
InChIInChI=1S/C10H15N3O3/c1-3-13(4-2)8-5-7(6-9(14)15)11-10(16)12-8/h5H,3-4,6H2,1-2H3,(H,14,15)(H,11,12,16)
InChIKeyOTUMWXKITWKXDD-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

2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 82399133
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83851818
2-(2-oxo-4-pyrrolidin-1-yl-1H-pyrimidin-6-yl)acetic acid
CID 83852431
2-(2-oxo-4-piperidin-1-yl-1H-pyrimidin-6-yl)acetic acid
CID 83852639
2-(4-morpholin-4-yl-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83852673
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 83857327
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
CID 83857330
2-[4-(methylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 83864227
2-[4-(cyclopropylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 83864234
2-(4-pyrrolidin-1-yl-2-sulfanylidene-1H-pyrimidin-6-yl)acetic acid
CID 83872037
2-[4-(dimethylamino)-2-sulfanylidene-1H-pyrimidin-6-yl]acetic acid
CID 129975940

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid?
The IUPAC name of 2-[4-(diethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid (CID 83864294) is 2-[4-(diethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid.
What is the SMILES notation for 2-[4-(diethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid?
The canonical SMILES for 2-[4-(diethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid is CCN(CC)c1cc(CC(=O)O)[nH]c(=O)n1.
What is the InChIKey of 2-[4-(diethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid?
The InChIKey is OTUMWXKITWKXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-13(4-2)8-5-7(6-9(14)15)11-10(16)12-8/h5H,3-4,6H2,1-2H3,(H,14,15)(H,11,12,16).
What are the key properties of 2-[4-(diethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid?
2-[4-(diethylamino)-2-oxo-1H-pyrimidin-6-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-[4-(diethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid is sourced from PubChem (CID 83864294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).