4-[4-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine

C18H21N5O — CID 56896703

IUPAC4-[4-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine
SMILESCCc1cc(-c2ccnc3c2ccn3C)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21N5O/c1-3-13-12-16(21-18(20-13)23-8-10-24-11-9-23)14-4-6-19-17-15(14)5-7-22(17)2/h4-7,12H,3,8-11H2,1-2H3
InChIKeyYRBLTTIHKRVWBR-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.43
Rot. Bonds3

About 4-[4-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine

4-[4-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine (PubChem CID 56896703) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[4-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine
PubChem CID56896703
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-[4-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine
SMILESCCc1cc(-c2ccnc3c2ccn3C)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21N5O/c1-3-13-12-16(21-18(20-13)23-8-10-24-11-9-23)14-4-6-19-17-15(14)5-7-22(17)2/h4-7,12H,3,8-11H2,1-2H3
InChIKeyYRBLTTIHKRVWBR-UHFFFAOYSA-N
XLogP2.43
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine (CID 56896703) is 4-[4-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine is CCc1cc(-c2ccnc3c2ccn3C)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine?
The InChIKey is YRBLTTIHKRVWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-13-12-16(21-18(20-13)23-8-10-24-11-9-23)14-4-6-19-17-15(14)5-7-22(17)2/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 4-[4-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine?
4-[4-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine has a molecular weight of 323.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 56896703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).