2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid

C11H16N4O4 — CID 107602133

IUPAC2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid
SMILESCOc1cc(C)nc(NC(=O)NC(C)(C)C(=O)O)n1
InChIInChI=1S/C11H16N4O4/c1-6-5-7(19-4)13-9(12-6)14-10(18)15-11(2,3)8(16)17/h5H,1-4H3,(H,16,17)(H2,12,13,14,15,18)
InChIKeyRDANSUOOAVSBKI-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.78
Rot. Bonds4

About 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid

2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid (PubChem CID 107602133) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid
PubChem CID107602133
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid
SMILESCOc1cc(C)nc(NC(=O)NC(C)(C)C(=O)O)n1
InChIInChI=1S/C11H16N4O4/c1-6-5-7(19-4)13-9(12-6)14-10(18)15-11(2,3)8(16)17/h5H,1-4H3,(H,16,17)(H2,12,13,14,15,18)
InChIKeyRDANSUOOAVSBKI-UHFFFAOYSA-N
XLogP0.78
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-2-methylbutanoic acid
CID 107629350
2-(ethylamino)-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylpropanamide
CID 107600141
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpropanoic acid
CID 115354713
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide
CID 107602431
3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-4-oxobutanoic acid
CID 107600043
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107602103
1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 14774716
1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea
CID 134822106
3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid
CID 107602108
4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107602545
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide
CID 107600194
2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide
CID 107600478

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid (CID 107602133) is 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid is COc1cc(C)nc(NC(=O)NC(C)(C)C(=O)O)n1.
What is the InChIKey of 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid?
The InChIKey is RDANSUOOAVSBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-6-5-7(19-4)13-9(12-6)14-10(18)15-11(2,3)8(16)17/h5H,1-4H3,(H,16,17)(H2,12,13,14,15,18).
What are the key properties of 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid?
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 107602133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).