4-[[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine

C19H31ClN4O — CID 133447912

IUPAC4-[[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine
SMILESCCc1nc(Cl)c(C)c(N2CCC(CN3CC(C)OC(C)C3)CC2)n1
InChIInChI=1S/C19H31ClN4O/c1-5-17-21-18(20)15(4)19(22-17)24-8-6-16(7-9-24)12-23-10-13(2)25-14(3)11-23/h13-14,16H,5-12H2,1-4H3
InChIKeyPJXGHUGXNBWTEK-UHFFFAOYSA-N
MW366.94 g/mol
LogP3.33
Rot. Bonds4

About 4-[[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine

4-[[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 133447912) has the molecular formula C19H31ClN4O and a molecular weight of 366.94 g/mol. Its IUPAC name is 4-[[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine
PubChem CID133447912
Molecular FormulaC19H31ClN4O
Molecular Weight366.94 g/mol
Exact Mass366.22
IUPAC Name4-[[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine
SMILESCCc1nc(Cl)c(C)c(N2CCC(CN3CC(C)OC(C)C3)CC2)n1
InChIInChI=1S/C19H31ClN4O/c1-5-17-21-18(20)15(4)19(22-17)24-8-6-16(7-9-24)12-23-10-13(2)25-14(3)11-23/h13-14,16H,5-12H2,1-4H3
InChIKeyPJXGHUGXNBWTEK-UHFFFAOYSA-N
XLogP3.33
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.94
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine (CID 133447912) is 4-[[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine is CCc1nc(Cl)c(C)c(N2CCC(CN3CC(C)OC(C)C3)CC2)n1.
What is the InChIKey of 4-[[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is PJXGHUGXNBWTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31ClN4O/c1-5-17-21-18(20)15(4)19(22-17)24-8-6-16(7-9-24)12-23-10-13(2)25-14(3)11-23/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 4-[[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine?
4-[[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 366.94 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 133447912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).