5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylic acid

C10H13N3O4 — CID 131699612

IUPAC5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1cnc(C(=O)O)nc1
InChIInChI=1S/C10H13N3O4/c1-10(2,3)17-9(16)13-6-4-11-7(8(14)15)12-5-6/h4-5H,1-3H3,(H,13,16)(H,14,15)
InChIKeySFVMBHZVCLEOLS-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.52
Rot. Bonds2

About 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylic acid

5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylic acid (PubChem CID 131699612) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylic acid
PubChem CID131699612
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1cnc(C(=O)O)nc1
InChIInChI=1S/C10H13N3O4/c1-10(2,3)17-9(16)13-6-4-11-7(8(14)15)12-5-6/h4-5H,1-3H3,(H,13,16)(H,14,15)
InChIKeySFVMBHZVCLEOLS-UHFFFAOYSA-N
XLogP1.52
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 5-aminopyrimidine-2-carboxylate
CID 10654421
Methyl 5-aminopyrimidine-2-carboxylate hydrochloride
CID 72207940
5-(Dimethylamino)pyrimidine-2-carboxylic acid
CID 130139910
tert-butyl N-[1-(5-aminopyrimidin-2-yl)ethyl]carbamate
CID 170912230
5-(((tert-Butoxycarbonyl)amino)methyl)pyrimidine-2-carboxylic acid
CID 177799784
Pyrimidine, 4-amino-5-carboxymethylamino-
CID 23422079
Pyrimidine, 5-amino-4-carboxymethylamino-
CID 23422082
5-Aminopyrimidine-2-carboxylic Acid
CID 12215997
tert-Butyl (2-(trifluoromethyl)pyrimidin-5-yl)carbamate
CID 123766639
N-(pyrimid-5-yl)oxamic acid
CID 107589536
2-[Pyrimidin-5-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 107589421
3,3,3-Trifluoro-2-methyl-2-(pyrimidin-5-ylcarbamoylamino)propanoic acid
CID 113978329

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylic acid (CID 131699612) is 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylic acid is CC(C)(C)OC(=O)Nc1cnc(C(=O)O)nc1.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylic acid?
The InChIKey is SFVMBHZVCLEOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-10(2,3)17-9(16)13-6-4-11-7(8(14)15)12-5-6/h4-5H,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylic acid?
5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 131699612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).