3-[[2-(dimethylamino)pyrimidin-4-yl]amino]-2,2,3-trimethylbutanoic acid

C13H22N4O2 — CID 65266280

IUPAC3-[[2-(dimethylamino)pyrimidin-4-yl]amino]-2,2,3-trimethylbutanoic acid
SMILESCN(C)c1nccc(NC(C)(C)C(C)(C)C(=O)O)n1
InChIInChI=1S/C13H22N4O2/c1-12(2,10(18)19)13(3,4)16-9-7-8-14-11(15-9)17(5)6/h7-8H,1-6H3,(H,18,19)(H,14,15,16)
InChIKeyFHKHNFIXEUOYLI-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.84
Rot. Bonds5

About 3-[[2-(dimethylamino)pyrimidin-4-yl]amino]-2,2,3-trimethylbutanoic acid

3-[[2-(dimethylamino)pyrimidin-4-yl]amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65266280) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)pyrimidin-4-yl]amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[[2-(dimethylamino)pyrimidin-4-yl]amino]-2,2,3-trimethylbutanoic acid
PubChem CID65266280
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-[[2-(dimethylamino)pyrimidin-4-yl]amino]-2,2,3-trimethylbutanoic acid
SMILESCN(C)c1nccc(NC(C)(C)C(C)(C)C(=O)O)n1
InChIInChI=1S/C13H22N4O2/c1-12(2,10(18)19)13(3,4)16-9-7-8-14-11(15-9)17(5)6/h7-8H,1-6H3,(H,18,19)(H,14,15,16)
InChIKeyFHKHNFIXEUOYLI-UHFFFAOYSA-N
XLogP1.84
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)pyrimidin-4-yl]amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[[2-(dimethylamino)pyrimidin-4-yl]amino]-2,2,3-trimethylbutanoic acid (CID 65266280) is 3-[[2-(dimethylamino)pyrimidin-4-yl]amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[[2-(dimethylamino)pyrimidin-4-yl]amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[[2-(dimethylamino)pyrimidin-4-yl]amino]-2,2,3-trimethylbutanoic acid is CN(C)c1nccc(NC(C)(C)C(C)(C)C(=O)O)n1.
What is the InChIKey of 3-[[2-(dimethylamino)pyrimidin-4-yl]amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is FHKHNFIXEUOYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-12(2,10(18)19)13(3,4)16-9-7-8-14-11(15-9)17(5)6/h7-8H,1-6H3,(H,18,19)(H,14,15,16).
What are the key properties of 3-[[2-(dimethylamino)pyrimidin-4-yl]amino]-2,2,3-trimethylbutanoic acid?
3-[[2-(dimethylamino)pyrimidin-4-yl]amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 266.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)pyrimidin-4-yl]amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65266280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).