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

C11H17N3O3 — CID 136958475

IUPAC2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
SMILESCCCC(Nc1cc(=O)[nH]c(CC)n1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-3-5-7(11(16)17)12-9-6-10(15)14-8(4-2)13-9/h6-7H,3-5H2,1-2H3,(H,16,17)(H2,12,13,14,15)
InChIKeyIBQROZFERQBAFQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.00
Rot. Bonds6

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

2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid (PubChem CID 136958475) 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)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
PubChem CID136958475
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
SMILESCCCC(Nc1cc(=O)[nH]c(CC)n1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-3-5-7(11(16)17)12-9-6-10(15)14-8(4-2)13-9/h6-7H,3-5H2,1-2H3,(H,16,17)(H2,12,13,14,15)
InChIKeyIBQROZFERQBAFQ-UHFFFAOYSA-N
XLogP1.00
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid with MolForge

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Related Compounds

2-[(4-Oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid
CID 122060679
3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136880681
methyl 4-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoate
CID 136956433
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958316
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958318
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958320
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958330
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958331
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958332
6-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958358
6-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958360
6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958362

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid (CID 136958475) is 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid is CCCC(Nc1cc(=O)[nH]c(CC)n1)C(=O)O.
What is the InChIKey of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The InChIKey is IBQROZFERQBAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-5-7(11(16)17)12-9-6-10(15)14-8(4-2)13-9/h6-7H,3-5H2,1-2H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 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)amino]pentanoic acid is sourced from PubChem (CID 136958475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).