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

C20H26N4O4 — CID 57397674

IUPACpropan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1ccncc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C
InChIInChI=1S/C20H26N4O4/c1-13(2)26-20(25)24-9-6-16(7-10-24)27-18-15(4)19(23-12-22-18)28-17-11-21-8-5-14(17)3/h5,8,11-13,16H,6-7,9-10H2,1-4H3
InChIKeySFJAFRSDVYDKBZ-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.67
Rot. Bonds5

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

propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 57397674) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID57397674
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Namepropan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1ccncc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C
InChIInChI=1S/C20H26N4O4/c1-13(2)26-20(25)24-9-6-16(7-10-24)27-18-15(4)19(23-12-22-18)28-17-11-21-8-5-14(17)3/h5,8,11-13,16H,6-7,9-10H2,1-4H3
InChIKeySFJAFRSDVYDKBZ-UHFFFAOYSA-N
XLogP3.67
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 57397674) is propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1ccncc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C.
What is the InChIKey of propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is SFJAFRSDVYDKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-13(2)26-20(25)24-9-6-16(7-10-24)27-18-15(4)19(23-12-22-18)28-17-11-21-8-5-14(17)3/h5,8,11-13,16H,6-7,9-10H2,1-4H3.
What are the key properties of propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 57397674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).