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

C11H15N3O5 — CID 167738680

IUPAC4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid
SMILESCOc1nc(NC(=O)OC(C)(C)C)ncc1C(=O)O
InChIInChI=1S/C11H15N3O5/c1-11(2,3)19-10(17)14-9-12-5-6(8(15)16)7(13-9)18-4/h5H,1-4H3,(H,15,16)(H,12,13,14,17)
InChIKeyFRBPYOCDKRPDMM-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.53
Rot. Bonds3

About 4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid

4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid (PubChem CID 167738680) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid
PubChem CID167738680
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid
SMILESCOc1nc(NC(=O)OC(C)(C)C)ncc1C(=O)O
InChIInChI=1S/C11H15N3O5/c1-11(2,3)19-10(17)14-9-12-5-6(8(15)16)7(13-9)18-4/h5H,1-4H3,(H,15,16)(H,12,13,14,17)
InChIKeyFRBPYOCDKRPDMM-UHFFFAOYSA-N
XLogP1.53
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid
CID 136575644
tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
CID 141287875
tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate
CID 73010774
4-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyrimidine-5-carboxylic acid
CID 114518096
tert-butyl N-(5-bromo-6-methoxy-2-pyridinyl)carbamate
CID 156516754
tert-butyl N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]carbamate
CID 59149477
tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate
CID 145226856
4-methoxy-2-methylsulfanylpyrimidine-5-carboxylic acid
CID 12829003
2-(2-amino-4,6-dimethoxypyrimidin-5-yl)acetonitrile;tert-butyl N-[5-(cyanomethyl)-4,6-dimethoxypyrimidin-2-yl]carbamate
CID 175788857
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
CID 137407913
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,5-triazin-2-yl]acetic acid
CID 53416267

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid (CID 167738680) is 4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid is COc1nc(NC(=O)OC(C)(C)C)ncc1C(=O)O.
What is the InChIKey of 4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid?
The InChIKey is FRBPYOCDKRPDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-11(2,3)19-10(17)14-9-12-5-6(8(15)16)7(13-9)18-4/h5H,1-4H3,(H,15,16)(H,12,13,14,17).
What are the key properties of 4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid?
4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 167738680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).