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

C16H17N5O — CID 56911097

IUPAC4-[6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine
SMILESCn1ccc2c(-c3cc(N4CCOCC4)ncn3)ccnc21
InChIInChI=1S/C16H17N5O/c1-20-5-3-13-12(2-4-17-16(13)20)14-10-15(19-11-18-14)21-6-8-22-9-7-21/h2-5,10-11H,6-9H2,1H3
InChIKeyGTRFWMQZCRBRIQ-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.87
Rot. Bonds2

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

4-[6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine (PubChem CID 56911097) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-[6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine
PubChem CID56911097
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name4-[6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine
SMILESCn1ccc2c(-c3cc(N4CCOCC4)ncn3)ccnc21
InChIInChI=1S/C16H17N5O/c1-20-5-3-13-12(2-4-17-16(13)20)14-10-15(19-11-18-14)21-6-8-22-9-7-21/h2-5,10-11H,6-9H2,1H3
InChIKeyGTRFWMQZCRBRIQ-UHFFFAOYSA-N
XLogP1.87
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine (CID 56911097) is 4-[6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine is Cn1ccc2c(-c3cc(N4CCOCC4)ncn3)ccnc21.
What is the InChIKey of 4-[6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine?
The InChIKey is GTRFWMQZCRBRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-20-5-3-13-12(2-4-17-16(13)20)14-10-15(19-11-18-14)21-6-8-22-9-7-21/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-[6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine?
4-[6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine has a molecular weight of 295.35 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 56911097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).