propan-2-yl 4-[6-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

C21H28N4O5 — CID 57397676

IUPACpropan-2-yl 4-[6-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCOc1ccc(Oc2ncnc(OC3CCN(C(=O)OC(C)C)CC3)c2C)c(C)n1
InChIInChI=1S/C21H28N4O5/c1-13(2)28-21(26)25-10-8-16(9-11-25)29-19-14(3)20(23-12-22-19)30-17-6-7-18(27-5)24-15(17)4/h6-7,12-13,16H,8-11H2,1-5H3
InChIKeyMYMOQKFPODBRKH-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.68
Rot. Bonds6

About propan-2-yl 4-[6-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

propan-2-yl 4-[6-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 57397676) has the molecular formula C21H28N4O5 and a molecular weight of 416.48 g/mol. Its IUPAC name is propan-2-yl 4-[6-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[6-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID57397676
Molecular FormulaC21H28N4O5
Molecular Weight416.48 g/mol
Exact Mass416.21
IUPAC Namepropan-2-yl 4-[6-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCOc1ccc(Oc2ncnc(OC3CCN(C(=O)OC(C)C)CC3)c2C)c(C)n1
InChIInChI=1S/C21H28N4O5/c1-13(2)28-21(26)25-10-8-16(9-11-25)29-19-14(3)20(23-12-22-19)30-17-6-7-18(27-5)24-15(17)4/h6-7,12-13,16H,8-11H2,1-5H3
InChIKeyMYMOQKFPODBRKH-UHFFFAOYSA-N
XLogP3.68
TPSA95.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze propan-2-yl 4-[6-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[6-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[6-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 57397676) is propan-2-yl 4-[6-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[6-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[6-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is COc1ccc(Oc2ncnc(OC3CCN(C(=O)OC(C)C)CC3)c2C)c(C)n1.
What is the InChIKey of propan-2-yl 4-[6-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is MYMOQKFPODBRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5/c1-13(2)28-21(26)25-10-8-16(9-11-25)29-19-14(3)20(23-12-22-19)30-17-6-7-18(27-5)24-15(17)4/h6-7,12-13,16H,8-11H2,1-5H3.
What are the key properties of propan-2-yl 4-[6-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[6-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 416.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[6-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 57397676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).