2-[2-(diethylamino)-4-methyl-6-oxopyrimidin-1-yl]acetic acid

C11H17N3O3 — CID 11010049

IUPAC2-[2-(diethylamino)-4-methyl-6-oxopyrimidin-1-yl]acetic acid
SMILESCCN(CC)c1nc(C)cc(=O)n1CC(=O)O
InChIInChI=1S/C11H17N3O3/c1-4-13(5-2)11-12-8(3)6-9(15)14(11)7-10(16)17/h6H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyKHVWCWOXCOOSOC-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.48
Rot. Bonds5

About 2-[2-(diethylamino)-4-methyl-6-oxopyrimidin-1-yl]acetic acid

2-[2-(diethylamino)-4-methyl-6-oxopyrimidin-1-yl]acetic acid (PubChem CID 11010049) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[2-(diethylamino)-4-methyl-6-oxopyrimidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)-4-methyl-6-oxopyrimidin-1-yl]acetic acid
PubChem CID11010049
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[2-(diethylamino)-4-methyl-6-oxopyrimidin-1-yl]acetic acid
SMILESCCN(CC)c1nc(C)cc(=O)n1CC(=O)O
InChIInChI=1S/C11H17N3O3/c1-4-13(5-2)11-12-8(3)6-9(15)14(11)7-10(16)17/h6H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyKHVWCWOXCOOSOC-UHFFFAOYSA-N
XLogP0.48
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-4-methyl-6-oxopyrimidin-1-yl]acetic acid?
The IUPAC name of 2-[2-(diethylamino)-4-methyl-6-oxopyrimidin-1-yl]acetic acid (CID 11010049) is 2-[2-(diethylamino)-4-methyl-6-oxopyrimidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(diethylamino)-4-methyl-6-oxopyrimidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-(diethylamino)-4-methyl-6-oxopyrimidin-1-yl]acetic acid is CCN(CC)c1nc(C)cc(=O)n1CC(=O)O.
What is the InChIKey of 2-[2-(diethylamino)-4-methyl-6-oxopyrimidin-1-yl]acetic acid?
The InChIKey is KHVWCWOXCOOSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-13(5-2)11-12-8(3)6-9(15)14(11)7-10(16)17/h6H,4-5,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-(diethylamino)-4-methyl-6-oxopyrimidin-1-yl]acetic acid?
2-[2-(diethylamino)-4-methyl-6-oxopyrimidin-1-yl]acetic acid has a molecular weight of 239.27 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-4-methyl-6-oxopyrimidin-1-yl]acetic acid is sourced from PubChem (CID 11010049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).