4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-3-methylthiomorpholine

C14H22ClN3S — CID 80978725

IUPAC4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-3-methylthiomorpholine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N1CCSCC1C
InChIInChI=1S/C14H22ClN3S/c1-9-8-19-7-6-18(9)12-10(2)11(15)16-13(17-12)14(3,4)5/h9H,6-8H2,1-5H3
InChIKeyLMGGTFWCUSDIPX-UHFFFAOYSA-N
MW299.87 g/mol
LogP3.68
Rot. Bonds1

About 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-3-methylthiomorpholine

4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-3-methylthiomorpholine (PubChem CID 80978725) has the molecular formula C14H22ClN3S and a molecular weight of 299.87 g/mol. Its IUPAC name is 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-3-methylthiomorpholine.

Molecular Properties

Compound Name4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-3-methylthiomorpholine
PubChem CID80978725
Molecular FormulaC14H22ClN3S
Molecular Weight299.87 g/mol
Exact Mass299.12
IUPAC Name4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-3-methylthiomorpholine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N1CCSCC1C
InChIInChI=1S/C14H22ClN3S/c1-9-8-19-7-6-18(9)12-10(2)11(15)16-13(17-12)14(3,4)5/h9H,6-8H2,1-5H3
InChIKeyLMGGTFWCUSDIPX-UHFFFAOYSA-N
XLogP3.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-3-methylthiomorpholine?
The IUPAC name of 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-3-methylthiomorpholine (CID 80978725) is 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-3-methylthiomorpholine.
What is the SMILES notation for 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-3-methylthiomorpholine?
The canonical SMILES for 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-3-methylthiomorpholine is Cc1c(Cl)nc(C(C)(C)C)nc1N1CCSCC1C.
What is the InChIKey of 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-3-methylthiomorpholine?
The InChIKey is LMGGTFWCUSDIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3S/c1-9-8-19-7-6-18(9)12-10(2)11(15)16-13(17-12)14(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-3-methylthiomorpholine?
4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-3-methylthiomorpholine has a molecular weight of 299.87 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-3-methylthiomorpholine is sourced from PubChem (CID 80978725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).