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

C13H21N3O3 — CID 137015828

IUPAC5-methyl-4-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]hexanoic acid
SMILESCC(C)C(CCNc1cc(=O)[nH]cn1)CCC(=O)O
InChIInChI=1S/C13H21N3O3/c1-9(2)10(3-4-13(18)19)5-6-14-11-7-12(17)16-8-15-11/h7-10H,3-6H2,1-2H3,(H,18,19)(H2,14,15,16,17)
InChIKeyGPJRYPYOBJVUDG-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.71
Rot. Bonds8

About 5-methyl-4-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]hexanoic acid

5-methyl-4-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]hexanoic acid (PubChem CID 137015828) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-methyl-4-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]hexanoic acid.

Molecular Properties

Compound Name5-methyl-4-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]hexanoic acid
PubChem CID137015828
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-methyl-4-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]hexanoic acid
SMILESCC(C)C(CCNc1cc(=O)[nH]cn1)CCC(=O)O
InChIInChI=1S/C13H21N3O3/c1-9(2)10(3-4-13(18)19)5-6-14-11-7-12(17)16-8-15-11/h7-10H,3-6H2,1-2H3,(H,18,19)(H2,14,15,16,17)
InChIKeyGPJRYPYOBJVUDG-UHFFFAOYSA-N
XLogP1.71
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136959337
3-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136959349
5-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136972346
4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one
CID 136817750
4-[(2-hydroxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136956783
4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
CID 136713910
2-[(6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylacetic acid
CID 136958731
2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanedioic acid
CID 136959396
ethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956412
4-(methylamino)-1H-pyrimidin-6-one
CID 135481447
4-[[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]amino]-1H-pyrimidin-6-one
CID 166257254
4-(2-bromoprop-2-enylamino)-1H-pyrimidin-6-one
CID 136976981

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]hexanoic acid?
The IUPAC name of 5-methyl-4-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]hexanoic acid (CID 137015828) is 5-methyl-4-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]hexanoic acid.
What is the SMILES notation for 5-methyl-4-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]hexanoic acid?
The canonical SMILES for 5-methyl-4-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]hexanoic acid is CC(C)C(CCNc1cc(=O)[nH]cn1)CCC(=O)O.
What is the InChIKey of 5-methyl-4-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]hexanoic acid?
The InChIKey is GPJRYPYOBJVUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)10(3-4-13(18)19)5-6-14-11-7-12(17)16-8-15-11/h7-10H,3-6H2,1-2H3,(H,18,19)(H2,14,15,16,17).
What are the key properties of 5-methyl-4-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]hexanoic acid?
5-methyl-4-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]hexanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]hexanoic acid is sourced from PubChem (CID 137015828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).