3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid

C11H17N3O2 — CID 115427722

IUPAC3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
SMILESCc1cc(NCC(C)(C)C(=O)O)nc(C)n1
InChIInChI=1S/C11H17N3O2/c1-7-5-9(14-8(2)13-7)12-6-11(3,4)10(15)16/h5H,6H2,1-4H3,(H,15,16)(H,12,13,14)
InChIKeyJUFZMSJLIJCEHV-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.62
Rot. Bonds4

About 3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid

3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid (PubChem CID 115427722) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
PubChem CID115427722
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
SMILESCc1cc(NCC(C)(C)C(=O)O)nc(C)n1
InChIInChI=1S/C11H17N3O2/c1-7-5-9(14-8(2)13-7)12-6-11(3,4)10(15)16/h5H,6H2,1-4H3,(H,15,16)(H,12,13,14)
InChIKeyJUFZMSJLIJCEHV-UHFFFAOYSA-N
XLogP1.62
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 115427635
3-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307925
1-N-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,2-diamine
CID 83619844
1-N-(2,6-dimethylpyrimidin-4-yl)-2-ethylbutane-1,2-diamine
CID 115306257
N-(4-methoxy-2,2-dimethylbutyl)-2,6-dimethylpyrimidin-4-amine
CID 113434162
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid
CID 106278034
N-[2-(chloromethyl)-2-ethylbutyl]-2,6-dimethylpyrimidin-4-amine
CID 106252969
2,2-dimethyl-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 106280469
3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-2,2-dimethylpropanoic acid
CID 119250170
3-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060969
3-[(1,2-dimethylbenzimidazol-5-yl)amino]-2,2-dimethylpropanoic acid
CID 115136437
2-[[(6-ethoxy-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430115

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid (CID 115427722) is 3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid is Cc1cc(NCC(C)(C)C(=O)O)nc(C)n1.
What is the InChIKey of 3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is JUFZMSJLIJCEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-5-9(14-8(2)13-7)12-6-11(3,4)10(15)16/h5H,6H2,1-4H3,(H,15,16)(H,12,13,14).
What are the key properties of 3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid?
3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 223.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115427722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).