1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine

C20H31N7O2 — CID 72940733

IUPAC1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
SMILESCCc1cc(N2CCC(NC(C)c3nc(C)no3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H31N7O2/c1-4-16-13-18(24-20(23-16)27-9-11-28-12-10-27)26-7-5-17(6-8-26)21-14(2)19-22-15(3)25-29-19/h13-14,17,21H,4-12H2,1-3H3
InChIKeySNVGMDRULSKQCP-UHFFFAOYSA-N
MW401.52 g/mol
LogP1.89
Rot. Bonds6

About 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine

1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine (PubChem CID 72940733) has the molecular formula C20H31N7O2 and a molecular weight of 401.52 g/mol. Its IUPAC name is 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
PubChem CID72940733
Molecular FormulaC20H31N7O2
Molecular Weight401.52 g/mol
Exact Mass401.25
IUPAC Name1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
SMILESCCc1cc(N2CCC(NC(C)c3nc(C)no3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H31N7O2/c1-4-16-13-18(24-20(23-16)27-9-11-28-12-10-27)26-7-5-17(6-8-26)21-14(2)19-22-15(3)25-29-19/h13-14,17,21H,4-12H2,1-3H3
InChIKeySNVGMDRULSKQCP-UHFFFAOYSA-N
XLogP1.89
TPSA92.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine (CID 72940733) is 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine is CCc1cc(N2CCC(NC(C)c3nc(C)no3)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
The InChIKey is SNVGMDRULSKQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7O2/c1-4-16-13-18(24-20(23-16)27-9-11-28-12-10-27)26-7-5-17(6-8-26)21-14(2)19-22-15(3)25-29-19/h13-14,17,21H,4-12H2,1-3H3.
What are the key properties of 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine has a molecular weight of 401.52 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 72940733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).