2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid

C13H19N3O3 — CID 136958440

IUPAC2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
SMILESCCCCC(Nc1cc(=O)[nH]c(C2CC2)n1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-2-3-4-9(13(18)19)14-10-7-11(17)16-12(15-10)8-5-6-8/h7-9H,2-6H2,1H3,(H,18,19)(H2,14,15,16,17)
InChIKeyBTLOIEAOGGMZBK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.70
Rot. Bonds7

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

2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid (PubChem CID 136958440) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
PubChem CID136958440
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
SMILESCCCCC(Nc1cc(=O)[nH]c(C2CC2)n1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-2-3-4-9(13(18)19)14-10-7-11(17)16-12(15-10)8-5-6-8/h7-9H,2-6H2,1H3,(H,18,19)(H2,14,15,16,17)
InChIKeyBTLOIEAOGGMZBK-UHFFFAOYSA-N
XLogP1.70
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 136689827
3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136689829
3,3-dimethyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136689830
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 136689832
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-2-carboxylic acid
CID 136896338
3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896339
3-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896342
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-2-carboxylic acid
CID 136896344
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958316
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958317
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid (CID 136958440) is 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid.
What is the SMILES notation for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The canonical SMILES for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid is CCCCC(Nc1cc(=O)[nH]c(C2CC2)n1)C(=O)O.
What is the InChIKey of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The InChIKey is BTLOIEAOGGMZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-3-4-9(13(18)19)14-10-7-11(17)16-12(15-10)8-5-6-8/h7-9H,2-6H2,1H3,(H,18,19)(H2,14,15,16,17).
What are the key properties of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 136958440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).