4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine

C24H19N3OS2 — CID 71481720

IUPAC4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine
SMILESc1ccc2sc(-c3cc(-c4cc5ccccc5s4)nc(N4CCOCC4)n3)cc2c1
InChIInChI=1S/C24H19N3OS2/c1-3-7-20-16(5-1)13-22(29-20)18-15-19(23-14-17-6-2-4-8-21(17)30-23)26-24(25-18)27-9-11-28-12-10-27/h1-8,13-15H,9-12H2
InChIKeyWXYOXOAEBGINAJ-UHFFFAOYSA-N
MW429.57 g/mol
LogP6.08
Rot. Bonds3

About 4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine

4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine (PubChem CID 71481720) has the molecular formula C24H19N3OS2 and a molecular weight of 429.57 g/mol. Its IUPAC name is 4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine
PubChem CID71481720
Molecular FormulaC24H19N3OS2
Molecular Weight429.57 g/mol
Exact Mass429.10
IUPAC Name4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine
SMILESc1ccc2sc(-c3cc(-c4cc5ccccc5s4)nc(N4CCOCC4)n3)cc2c1
InChIInChI=1S/C24H19N3OS2/c1-3-7-20-16(5-1)13-22(29-20)18-15-19(23-14-17-6-2-4-8-21(17)30-23)26-24(25-18)27-9-11-28-12-10-27/h1-8,13-15H,9-12H2
InChIKeyWXYOXOAEBGINAJ-UHFFFAOYSA-N
XLogP6.08
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.57
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
CID 10785771
[5-amino-4-(1-benzothiophen-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate
CID 68630984
N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide
CID 122298901
2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile
CID 698584
2-(1-benzothiophen-2-yl)pyridine;methanol
CID 143810360
1-(1-benzothiophen-2-yl)aziridine
CID 14339463
2-(1-benzothiophen-2-yl)pyrrolo[3,2-b]pyrrole-5,6-dione
CID 141406311
2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol
CID 1110902
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 122254849
4-[4-(2-methoxyphenyl)-6-phenylpyrimidin-2-yl]morpholine
CID 909883
2-morpholin-4-yl-6-[2-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine
CID 74235769
4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine
CID 66493934

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine (CID 71481720) is 4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine is c1ccc2sc(-c3cc(-c4cc5ccccc5s4)nc(N4CCOCC4)n3)cc2c1.
What is the InChIKey of 4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine?
The InChIKey is WXYOXOAEBGINAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3OS2/c1-3-7-20-16(5-1)13-22(29-20)18-15-19(23-14-17-6-2-4-8-21(17)30-23)26-24(25-18)27-9-11-28-12-10-27/h1-8,13-15H,9-12H2.
What are the key properties of 4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine?
4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine has a molecular weight of 429.57 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 71481720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).