4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine

C12H13N3OS — CID 66493934

IUPAC4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine
SMILESc1csc(-c2ccnc(N3CCOCC3)n2)c1
InChIInChI=1S/C12H13N3OS/c1-2-11(17-9-1)10-3-4-13-12(14-10)15-5-7-16-8-6-15/h1-4,9H,5-8H2
InChIKeyCUBLVUNCKBILSX-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.04
Rot. Bonds2

About 4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine

4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine (PubChem CID 66493934) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine
PubChem CID66493934
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine
SMILESc1csc(-c2ccnc(N3CCOCC3)n2)c1
InChIInChI=1S/C12H13N3OS/c1-2-11(17-9-1)10-3-4-13-12(14-10)15-5-7-16-8-6-15/h1-4,9H,5-8H2
InChIKeyCUBLVUNCKBILSX-UHFFFAOYSA-N
XLogP2.04
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyrrolidin-1-yl-4-thiophen-2-ylpyrimidine
CID 51371047
4-[4-(5-thiophen-2-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]morpholine
CID 46961874
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-thiophen-2-ylpyrimidine
CID 171989105
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
2-(4-pyrrolidin-1-ylphenyl)sulfanyl-4-thiophen-2-ylpyrimidine
CID 168514045
4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine
CID 10449071
4-[4-(chloromethyl)pyrimidin-2-yl]morpholine
CID 62747047
4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine
CID 90681590
N-(3,5-dimethoxyphenyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-4-carboxamide
CID 171989231
ethyl 1-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-3-carboxylate
CID 171989103
[2-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]urea
CID 68760220

Frequently Asked Questions

What is the IUPAC name of 4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine?
The IUPAC name of 4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine (CID 66493934) is 4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine is c1csc(-c2ccnc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine?
The InChIKey is CUBLVUNCKBILSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-2-11(17-9-1)10-3-4-13-12(14-10)15-5-7-16-8-6-15/h1-4,9H,5-8H2.
What are the key properties of 4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine?
4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine has a molecular weight of 247.32 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 66493934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).