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

C11H17N3O3 — CID 123280124

IUPAC2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetic acid
SMILESCCN(CC)c1cc(=O)n(C)c(CC(=O)O)n1
InChIInChI=1S/C11H17N3O3/c1-4-14(5-2)9-6-10(15)13(3)8(12-9)7-11(16)17/h6H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyLBYJRNCHBJQDMG-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.25
Rot. Bonds5

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

2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetic acid (PubChem CID 123280124) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetic acid
PubChem CID123280124
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetic acid
SMILESCCN(CC)c1cc(=O)n(C)c(CC(=O)O)n1
InChIInChI=1S/C11H17N3O3/c1-4-14(5-2)9-6-10(15)13(3)8(12-9)7-11(16)17/h6H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyLBYJRNCHBJQDMG-UHFFFAOYSA-N
XLogP0.25
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 ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetic acid?
The IUPAC name of 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetic acid (CID 123280124) is 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetic acid is CCN(CC)c1cc(=O)n(C)c(CC(=O)O)n1.
What is the InChIKey of 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetic acid?
The InChIKey is LBYJRNCHBJQDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-14(5-2)9-6-10(15)13(3)8(12-9)7-11(16)17/h6H,4-5,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetic acid?
2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetic acid has a molecular weight of 239.27 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetic acid is sourced from PubChem (CID 123280124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).