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

C10H15N3O3 — CID 136958473

IUPAC2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
SMILESCCCC(Nc1cc(=O)[nH]c(C)n1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-4-7(10(15)16)13-8-5-9(14)12-6(2)11-8/h5,7H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyPSQFDWRPKQVAAT-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.74
Rot. Bonds5

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

2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid (PubChem CID 136958473) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
PubChem CID136958473
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
SMILESCCCC(Nc1cc(=O)[nH]c(C)n1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-4-7(10(15)16)13-8-5-9(14)12-6(2)11-8/h5,7H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyPSQFDWRPKQVAAT-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-Oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid
CID 122060679
3-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136880680
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-[(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
4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958380

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The IUPAC name of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid (CID 136958473) is 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid is CCCC(Nc1cc(=O)[nH]c(C)n1)C(=O)O.
What is the InChIKey of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The InChIKey is PSQFDWRPKQVAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-4-7(10(15)16)13-8-5-9(14)12-6(2)11-8/h5,7H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 136958473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).