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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Related Compounds

2-[[2-(1H-indol-5-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylsulfonyl]pentanamide
CID 91283835
N-[4-[[2-(1H-indol-5-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylsulfonylmethyl]phenyl]acetamide
CID 58137168
4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine
CID 87344835
2,8-bis(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine
CID 171073548
1-[2-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]ethyl]pyrrolidin-2-one
CID 154329504
4-[6-(1H-indol-5-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 59807390
4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 44520824
4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
CID 58137106
4-[6-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 172556651
4-[2-(4-fluorophenyl)-3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 122656030
N-(2-morpholin-4-ylethyl)-1H-indol-5-amine
CID 82539146
4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 46882411

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).