5-chloro-2-cyclopropyl-6-thiomorpholin-4-ylpyrimidin-4-amine

C11H15ClN4S — CID 166129466

IUPAC5-chloro-2-cyclopropyl-6-thiomorpholin-4-ylpyrimidin-4-amine
SMILESNc1nc(C2CC2)nc(N2CCSCC2)c1Cl
InChIInChI=1S/C11H15ClN4S/c12-8-9(13)14-10(7-1-2-7)15-11(8)16-3-5-17-6-4-16/h7H,1-6H2,(H2,13,14,15)
InChIKeyJOCXKEPGFOSNDD-UHFFFAOYSA-N
MW270.79 g/mol
LogP2.14
Rot. Bonds2

About 5-chloro-2-cyclopropyl-6-thiomorpholin-4-ylpyrimidin-4-amine

5-chloro-2-cyclopropyl-6-thiomorpholin-4-ylpyrimidin-4-amine (PubChem CID 166129466) has the molecular formula C11H15ClN4S and a molecular weight of 270.79 g/mol. Its IUPAC name is 5-chloro-2-cyclopropyl-6-thiomorpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-cyclopropyl-6-thiomorpholin-4-ylpyrimidin-4-amine
PubChem CID166129466
Molecular FormulaC11H15ClN4S
Molecular Weight270.79 g/mol
Exact Mass270.07
IUPAC Name5-chloro-2-cyclopropyl-6-thiomorpholin-4-ylpyrimidin-4-amine
SMILESNc1nc(C2CC2)nc(N2CCSCC2)c1Cl
InChIInChI=1S/C11H15ClN4S/c12-8-9(13)14-10(7-1-2-7)15-11(8)16-3-5-17-6-4-16/h7H,1-6H2,(H2,13,14,15)
InChIKeyJOCXKEPGFOSNDD-UHFFFAOYSA-N
XLogP2.14
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine
CID 80948108
6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylic acid;hydrate
CID 67084337
2-cyclopropyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80993174
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80986953
2-cyclopropyl-6-(2,6-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-amine
CID 80980602
(6-amino-5-chloro-2-cyclopropylpyrimidin-4-yl) acetate
CID 174617589
2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 80980160
4-(4-chloro-2-cyclobutylquinazolin-6-yl)thiomorpholine
CID 114591343
4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine
CID 80971295
2-cyclopropyl-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 102971605
4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine
CID 80971748
2-methyl-4-thiomorpholin-4-yl-1H-imidazol-5-amine
CID 82234689

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclopropyl-6-thiomorpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 5-chloro-2-cyclopropyl-6-thiomorpholin-4-ylpyrimidin-4-amine (CID 166129466) is 5-chloro-2-cyclopropyl-6-thiomorpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-cyclopropyl-6-thiomorpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-cyclopropyl-6-thiomorpholin-4-ylpyrimidin-4-amine is Nc1nc(C2CC2)nc(N2CCSCC2)c1Cl.
What is the InChIKey of 5-chloro-2-cyclopropyl-6-thiomorpholin-4-ylpyrimidin-4-amine?
The InChIKey is JOCXKEPGFOSNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4S/c12-8-9(13)14-10(7-1-2-7)15-11(8)16-3-5-17-6-4-16/h7H,1-6H2,(H2,13,14,15).
What are the key properties of 5-chloro-2-cyclopropyl-6-thiomorpholin-4-ylpyrimidin-4-amine?
5-chloro-2-cyclopropyl-6-thiomorpholin-4-ylpyrimidin-4-amine has a molecular weight of 270.79 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclopropyl-6-thiomorpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 166129466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).