6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylic acid

C17H26N4O5 — CID 123260480

IUPAC6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)nc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H26N4O5/c1-17(2,3)26-16(24)18-10-11-5-7-21(8-6-11)15-19-12(14(22)23)9-13(20-15)25-4/h9,11H,5-8,10H2,1-4H3,(H,18,24)(H,22,23)
InChIKeyYQHRRVMTHQIEDL-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.92
Rot. Bonds5

About 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylic acid

6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylic acid (PubChem CID 123260480) has the molecular formula C17H26N4O5 and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylic acid
PubChem CID123260480
Molecular FormulaC17H26N4O5
Molecular Weight366.42 g/mol
Exact Mass366.19
IUPAC Name6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)nc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H26N4O5/c1-17(2,3)26-16(24)18-10-11-5-7-21(8-6-11)15-19-12(14(22)23)9-13(20-15)25-4/h9,11H,5-8,10H2,1-4H3,(H,18,24)(H,22,23)
InChIKeyYQHRRVMTHQIEDL-UHFFFAOYSA-N
XLogP1.92
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylic acid (CID 123260480) is 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylic acid is COc1cc(C(=O)O)nc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylic acid?
The InChIKey is YQHRRVMTHQIEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O5/c1-17(2,3)26-16(24)18-10-11-5-7-21(8-6-11)15-19-12(14(22)23)9-13(20-15)25-4/h9,11H,5-8,10H2,1-4H3,(H,18,24)(H,22,23).
What are the key properties of 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylic acid?
6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylic acid has a molecular weight of 366.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 123260480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).