3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid

C10H15N3O3 — CID 136958408

IUPAC3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
SMILESCCc1nc(NC(C)CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-3-7-12-8(5-9(14)13-7)11-6(2)4-10(15)16/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyCKXZCRZMSXFYNM-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.61
Rot. Bonds5

About 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid

3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid (PubChem CID 136958408) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
PubChem CID136958408
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
SMILESCCc1nc(NC(C)CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-3-7-12-8(5-9(14)13-7)11-6(2)4-10(15)16/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyCKXZCRZMSXFYNM-UHFFFAOYSA-N
XLogP0.61
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid (CID 136958408) is 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid is CCc1nc(NC(C)CC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The InChIKey is CKXZCRZMSXFYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-7-12-8(5-9(14)13-7)11-6(2)4-10(15)16/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 136958408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).