4-[5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidin-2-yl]morpholine

C21H35N5O4 — CID 54020302

IUPAC4-[5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidin-2-yl]morpholine
SMILESCOc1c(OC2CCN(C)CC2)nc(N2CCOCC2)nc1OC1CCN(C)CC1
InChIInChI=1S/C21H35N5O4/c1-24-8-4-16(5-9-24)29-19-18(27-3)20(30-17-6-10-25(2)11-7-17)23-21(22-19)26-12-14-28-15-13-26/h16-17H,4-15H2,1-3H3
InChIKeyKYLLQMQIYIZMQW-UHFFFAOYSA-N
MW421.54 g/mol
LogP1.27
Rot. Bonds6

About 4-[5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidin-2-yl]morpholine

4-[5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidin-2-yl]morpholine (PubChem CID 54020302) has the molecular formula C21H35N5O4 and a molecular weight of 421.54 g/mol. Its IUPAC name is 4-[5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidin-2-yl]morpholine
PubChem CID54020302
Molecular FormulaC21H35N5O4
Molecular Weight421.54 g/mol
Exact Mass421.27
IUPAC Name4-[5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidin-2-yl]morpholine
SMILESCOc1c(OC2CCN(C)CC2)nc(N2CCOCC2)nc1OC1CCN(C)CC1
InChIInChI=1S/C21H35N5O4/c1-24-8-4-16(5-9-24)29-19-18(27-3)20(30-17-6-10-25(2)11-7-17)23-21(22-19)26-12-14-28-15-13-26/h16-17H,4-15H2,1-3H3
InChIKeyKYLLQMQIYIZMQW-UHFFFAOYSA-N
XLogP1.27
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidin-2-yl]morpholine (CID 54020302) is 4-[5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidin-2-yl]morpholine is COc1c(OC2CCN(C)CC2)nc(N2CCOCC2)nc1OC1CCN(C)CC1.
What is the InChIKey of 4-[5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidin-2-yl]morpholine?
The InChIKey is KYLLQMQIYIZMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O4/c1-24-8-4-16(5-9-24)29-19-18(27-3)20(30-17-6-10-25(2)11-7-17)23-21(22-19)26-12-14-28-15-13-26/h16-17H,4-15H2,1-3H3.
What are the key properties of 4-[5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidin-2-yl]morpholine?
4-[5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidin-2-yl]morpholine has a molecular weight of 421.54 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 54020302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).