2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpropanoic acid

C10H15N3O4 — CID 115354713

IUPAC2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpropanoic acid
SMILESCOc1cc(OC)nc(NC(C)(C)C(=O)O)n1
InChIInChI=1S/C10H15N3O4/c1-10(2,8(14)15)13-9-11-6(16-3)5-7(12-9)17-4/h5H,1-4H3,(H,14,15)(H,11,12,13)
InChIKeyBLBXTXVQMKDMCN-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.77
Rot. Bonds5

About 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpropanoic acid

2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpropanoic acid (PubChem CID 115354713) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpropanoic acid
PubChem CID115354713
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpropanoic acid
SMILESCOc1cc(OC)nc(NC(C)(C)C(=O)O)n1
InChIInChI=1S/C10H15N3O4/c1-10(2,8(14)15)13-9-11-6(16-3)5-7(12-9)17-4/h5H,1-4H3,(H,14,15)(H,11,12,13)
InChIKeyBLBXTXVQMKDMCN-UHFFFAOYSA-N
XLogP0.77
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-ethylbutanoic acid
CID 115354788
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid
CID 107602133
N-(4,6-dimethoxypyrimidin-2-yl)-2-hydroxy-2-methylpropanamide
CID 107626294
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate
CID 115355512
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-2-methylbutanoic acid
CID 107629350
2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoic acid
CID 134110352
N-(4,6-dimethoxypyrimidin-2-yl)carbamate
CID 22648732
1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea
CID 134822106
tert-butyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethyl]carbamate
CID 114518194
4-[(4,6-dimethoxypyrimidin-2-yl)amino]-4-oxobutanoic acid
CID 107624804
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
(2S)-2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutanoic acid
CID 122049707

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpropanoic acid (CID 115354713) is 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpropanoic acid is COc1cc(OC)nc(NC(C)(C)C(=O)O)n1.
What is the InChIKey of 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is BLBXTXVQMKDMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-10(2,8(14)15)13-9-11-6(16-3)5-7(12-9)17-4/h5H,1-4H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpropanoic acid?
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 115354713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).