6-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-4-methylhexanoic acid

C13H21N3O3 — CID 66331320

IUPAC6-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-4-methylhexanoic acid
SMILESCOc1ncnc(NCCC(C)CCC(=O)O)c1C
InChIInChI=1S/C13H21N3O3/c1-9(4-5-11(17)18)6-7-14-12-10(2)13(19-3)16-8-15-12/h8-9H,4-7H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyARTULBHRWVLFJS-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.10
Rot. Bonds8

About 6-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-4-methylhexanoic acid

6-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-4-methylhexanoic acid (PubChem CID 66331320) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-4-methylhexanoic acid
PubChem CID66331320
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name6-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-4-methylhexanoic acid
SMILESCOc1ncnc(NCCC(C)CCC(=O)O)c1C
InChIInChI=1S/C13H21N3O3/c1-9(4-5-11(17)18)6-7-14-12-10(2)13(19-3)16-8-15-12/h8-9H,4-7H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyARTULBHRWVLFJS-UHFFFAOYSA-N
XLogP2.10
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-4-methylhexanoic acid with MolForge

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Related Compounds

4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]pentanoic acid
CID 66334158
5-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 82017186
5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162116
6-methoxy-5-methyl-N-(3-phenylbutyl)pyrimidin-4-amine
CID 66325227
4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 66326883
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]acetamide
CID 66327451
6-methoxy-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 66325409
N-(6-methoxy-5-methylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66327244
6-methoxy-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 66327861
N-hexyl-6-methoxy-5-methylpyrimidin-4-amine
CID 66325235
methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate
CID 66326780

Frequently Asked Questions

What is the IUPAC name of 6-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-4-methylhexanoic acid?
The IUPAC name of 6-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-4-methylhexanoic acid (CID 66331320) is 6-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-4-methylhexanoic acid?
The canonical SMILES for 6-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-4-methylhexanoic acid is COc1ncnc(NCCC(C)CCC(=O)O)c1C.
What is the InChIKey of 6-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-4-methylhexanoic acid?
The InChIKey is ARTULBHRWVLFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(4-5-11(17)18)6-7-14-12-10(2)13(19-3)16-8-15-12/h8-9H,4-7H2,1-3H3,(H,17,18)(H,14,15,16).
What are the key properties of 6-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-4-methylhexanoic acid?
6-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-4-methylhexanoic acid has a molecular weight of 267.33 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-4-methylhexanoic acid is sourced from PubChem (CID 66331320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).