2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine

C14H18N4OS — CID 110115901

IUPAC2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine
SMILESCc1cc(C2CN(Cc3cscn3)CCO2)nc(C)n1
InChIInChI=1S/C14H18N4OS/c1-10-5-13(17-11(2)16-10)14-7-18(3-4-19-14)6-12-8-20-9-15-12/h5,8-9,14H,3-4,6-7H2,1-2H3
InChIKeySFQMYSASMIVYQU-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.12
Rot. Bonds3

About 2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine

2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine (PubChem CID 110115901) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine.

Molecular Properties

Compound Name2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine
PubChem CID110115901
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine
SMILESCc1cc(C2CN(Cc3cscn3)CCO2)nc(C)n1
InChIInChI=1S/C14H18N4OS/c1-10-5-13(17-11(2)16-10)14-7-18(3-4-19-14)6-12-8-20-9-15-12/h5,8-9,14H,3-4,6-7H2,1-2H3
InChIKeySFQMYSASMIVYQU-UHFFFAOYSA-N
XLogP2.12
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine?
The IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine (CID 110115901) is 2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine.
What is the SMILES notation for 2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine?
The canonical SMILES for 2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine is Cc1cc(C2CN(Cc3cscn3)CCO2)nc(C)n1.
What is the InChIKey of 2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine?
The InChIKey is SFQMYSASMIVYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-5-13(17-11(2)16-10)14-7-18(3-4-19-14)6-12-8-20-9-15-12/h5,8-9,14H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine?
2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine has a molecular weight of 290.39 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine is sourced from PubChem (CID 110115901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).