4-[2-(1H-indol-5-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-yl]morpholine

C21H25N5O2 — CID 58137143

IUPAC4-[2-(1H-indol-5-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-yl]morpholine
SMILESc1cc2cc(-c3nc(CN4CCOCC4)cc(N4CCOCC4)n3)ccc2[nH]1
InChIInChI=1S/C21H25N5O2/c1-2-19-16(3-4-22-19)13-17(1)21-23-18(15-25-5-9-27-10-6-25)14-20(24-21)26-7-11-28-12-8-26/h1-4,13-14,22H,5-12,15H2
InChIKeyZPDPDZDCMVCPLY-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.29
Rot. Bonds4

About 4-[2-(1H-indol-5-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-yl]morpholine

4-[2-(1H-indol-5-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-yl]morpholine (PubChem CID 58137143) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[2-(1H-indol-5-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-indol-5-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-yl]morpholine
PubChem CID58137143
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name4-[2-(1H-indol-5-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-yl]morpholine
SMILESc1cc2cc(-c3nc(CN4CCOCC4)cc(N4CCOCC4)n3)ccc2[nH]1
InChIInChI=1S/C21H25N5O2/c1-2-19-16(3-4-22-19)13-17(1)21-23-18(15-25-5-9-27-10-6-25)14-20(24-21)26-7-11-28-12-8-26/h1-4,13-14,22H,5-12,15H2
InChIKeyZPDPDZDCMVCPLY-UHFFFAOYSA-N
XLogP2.29
TPSA66.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-5-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(1H-indol-5-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-yl]morpholine (CID 58137143) is 4-[2-(1H-indol-5-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(1H-indol-5-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(1H-indol-5-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-yl]morpholine is c1cc2cc(-c3nc(CN4CCOCC4)cc(N4CCOCC4)n3)ccc2[nH]1.
What is the InChIKey of 4-[2-(1H-indol-5-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-yl]morpholine?
The InChIKey is ZPDPDZDCMVCPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-2-19-16(3-4-22-19)13-17(1)21-23-18(15-25-5-9-27-10-6-25)14-20(24-21)26-7-11-28-12-8-26/h1-4,13-14,22H,5-12,15H2.
What are the key properties of 4-[2-(1H-indol-5-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-yl]morpholine?
4-[2-(1H-indol-5-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-yl]morpholine has a molecular weight of 379.46 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-5-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 58137143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).