6-thiomorpholin-4-ylpyrimidin-4-amine

C8H12N4S — CID 13394191

IUPAC6-thiomorpholin-4-ylpyrimidin-4-amine
SMILESNc1cc(N2CCSCC2)ncn1
InChIInChI=1S/C8H12N4S/c9-7-5-8(11-6-10-7)12-1-3-13-4-2-12/h5-6H,1-4H2,(H2,9,10,11)
InChIKeyODRKUNHRSIXSKJ-UHFFFAOYSA-N
MW196.28 g/mol
LogP0.61
Rot. Bonds1

About 6-thiomorpholin-4-ylpyrimidin-4-amine

6-thiomorpholin-4-ylpyrimidin-4-amine (PubChem CID 13394191) has the molecular formula C8H12N4S and a molecular weight of 196.28 g/mol. Its IUPAC name is 6-thiomorpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-thiomorpholin-4-ylpyrimidin-4-amine
PubChem CID13394191
Molecular FormulaC8H12N4S
Molecular Weight196.28 g/mol
Exact Mass196.08
IUPAC Name6-thiomorpholin-4-ylpyrimidin-4-amine
SMILESNc1cc(N2CCSCC2)ncn1
InChIInChI=1S/C8H12N4S/c9-7-5-8(11-6-10-7)12-1-3-13-4-2-12/h5-6H,1-4H2,(H2,9,10,11)
InChIKeyODRKUNHRSIXSKJ-UHFFFAOYSA-N
XLogP0.61
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 78929760
6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine
CID 78929951
1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106674394
6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine
CID 114561957
6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 78929729
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 170957533
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxamide
CID 78929761
2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]ethanol
CID 121206000
6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 78929785
6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 78929973
2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]acetamide
CID 78930041
6-[3-(dimethylamino)piperidin-1-yl]pyrimidin-4-amine
CID 80856163

Frequently Asked Questions

What is the IUPAC name of 6-thiomorpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-thiomorpholin-4-ylpyrimidin-4-amine (CID 13394191) is 6-thiomorpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-thiomorpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-thiomorpholin-4-ylpyrimidin-4-amine is Nc1cc(N2CCSCC2)ncn1.
What is the InChIKey of 6-thiomorpholin-4-ylpyrimidin-4-amine?
The InChIKey is ODRKUNHRSIXSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S/c9-7-5-8(11-6-10-7)12-1-3-13-4-2-12/h5-6H,1-4H2,(H2,9,10,11).
What are the key properties of 6-thiomorpholin-4-ylpyrimidin-4-amine?
6-thiomorpholin-4-ylpyrimidin-4-amine has a molecular weight of 196.28 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiomorpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 13394191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).