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

C11H17N3O3 — CID 136958573

IUPAC2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C11H17N3O3/c1-3-5-14(7-11(16)17)9-6-10(15)13-8(4-2)12-9/h6H,3-5,7H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyWDRDTYVIOCJHPF-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.63
Rot. Bonds6

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

2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid (PubChem CID 136958573) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid
PubChem CID136958573
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C11H17N3O3/c1-3-5-14(7-11(16)17)9-6-10(15)13-8(4-2)12-9/h6H,3-5,7H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyWDRDTYVIOCJHPF-UHFFFAOYSA-N
XLogP0.63
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 137009356
4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137008122
4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979289
4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136752203
2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
CID 137009106
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 137009357
4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009729
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid
CID 136958564
2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one
CID 136979820
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 137009371
4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136998914
2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)-propylamino]acetic acid
CID 54948987

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid?
The IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid (CID 136958573) is 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid?
The canonical SMILES for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid is CCCN(CC(=O)O)c1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid?
The InChIKey is WDRDTYVIOCJHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-5-14(7-11(16)17)9-6-10(15)13-8(4-2)12-9/h6H,3-5,7H2,1-2H3,(H,16,17)(H,12,13,15).
What are the key properties of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid?
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid has a molecular weight of 239.27 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid is sourced from PubChem (CID 136958573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).