3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid

C11H17N3O4 — CID 136972316

IUPAC3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
SMILESCCCC(CC(=O)O)Nc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H17N3O4/c1-3-4-7(5-8(15)16)14-10-9(18-2)11(17)13-6-12-10/h6-7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14,17)
InChIKeyRAUOCKGOTGDTEM-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.83
Rot. Bonds7

About 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid

3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid (PubChem CID 136972316) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
PubChem CID136972316
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
SMILESCCCC(CC(=O)O)Nc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H17N3O4/c1-3-4-7(5-8(15)16)14-10-9(18-2)11(17)13-6-12-10/h6-7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14,17)
InChIKeyRAUOCKGOTGDTEM-UHFFFAOYSA-N
XLogP0.83
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136977320
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 136972381
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 137016272
4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136975643
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
CID 136980716
5-methoxy-4-(1-thiophen-2-ylbutylamino)-1H-pyrimidin-6-one
CID 136974958
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 136974783
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136949437
4-[(2-hydroxy-1-phenylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136975601
4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136999429
4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977399
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The IUPAC name of 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid (CID 136972316) is 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid.
What is the SMILES notation for 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The canonical SMILES for 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid is CCCC(CC(=O)O)Nc1nc[nH]c(=O)c1OC.
What is the InChIKey of 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The InChIKey is RAUOCKGOTGDTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-3-4-7(5-8(15)16)14-10-9(18-2)11(17)13-6-12-10/h6-7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid has a molecular weight of 255.27 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 136972316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).