6-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid

C15H25N3O3 — CID 66332096

IUPAC6-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid
SMILESCCOc1cc(NCCC(C)(C)CCC(=O)O)nc(C)n1
InChIInChI=1S/C15H25N3O3/c1-5-21-13-10-12(17-11(2)18-13)16-9-8-15(3,4)7-6-14(19)20/h10H,5-9H2,1-4H3,(H,19,20)(H,16,17,18)
InChIKeyVRWNFDLZKIUQLV-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.88
Rot. Bonds9

About 6-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid

6-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid (PubChem CID 66332096) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 6-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid
PubChem CID66332096
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name6-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid
SMILESCCOc1cc(NCCC(C)(C)CCC(=O)O)nc(C)n1
InChIInChI=1S/C15H25N3O3/c1-5-21-13-10-12(17-11(2)18-13)16-9-8-15(3,4)7-6-14(19)20/h10H,5-9H2,1-4H3,(H,19,20)(H,16,17,18)
InChIKeyVRWNFDLZKIUQLV-UHFFFAOYSA-N
XLogP2.88
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid
CID 66332295
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
5-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 113440784
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 66332496
2-[[(6-ethoxy-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430115
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetamide
CID 66325856
6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid
CID 136959105
6-ethoxy-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 66326268
1-[2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid
CID 66332703
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
CID 114133921
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid
CID 112634446
6-[(6-chloropyrazin-2-yl)amino]-4,4-dimethylhexanoic acid
CID 114335451

Frequently Asked Questions

What is the IUPAC name of 6-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid (CID 66332096) is 6-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid is CCOc1cc(NCCC(C)(C)CCC(=O)O)nc(C)n1.
What is the InChIKey of 6-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is VRWNFDLZKIUQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-5-21-13-10-12(17-11(2)18-13)16-9-8-15(3,4)7-6-14(19)20/h10H,5-9H2,1-4H3,(H,19,20)(H,16,17,18).
What are the key properties of 6-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid?
6-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 66332096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).