[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone

C14H17N5O2S — CID 110271885

IUPAC[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESCNc1cc(C2CN(C(=O)c3cscn3)CCO2)nc(C)n1
InChIInChI=1S/C14H17N5O2S/c1-9-17-10(5-13(15-2)18-9)12-6-19(3-4-21-12)14(20)11-7-22-8-16-11/h5,7-8,12H,3-4,6H2,1-2H3,(H,15,17,18)
InChIKeyIASZPIXNRINUJO-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.50
Rot. Bonds3

About [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone

[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 110271885) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID110271885
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESCNc1cc(C2CN(C(=O)c3cscn3)CCO2)nc(C)n1
InChIInChI=1S/C14H17N5O2S/c1-9-17-10(5-13(15-2)18-9)12-6-19(3-4-21-12)14(20)11-7-22-8-16-11/h5,7-8,12H,3-4,6H2,1-2H3,(H,15,17,18)
InChIKeyIASZPIXNRINUJO-UHFFFAOYSA-N
XLogP1.50
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone (CID 110271885) is [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone is CNc1cc(C2CN(C(=O)c3cscn3)CCO2)nc(C)n1.
What is the InChIKey of [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is IASZPIXNRINUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-9-17-10(5-13(15-2)18-9)12-6-19(3-4-21-12)14(20)11-7-22-8-16-11/h5,7-8,12H,3-4,6H2,1-2H3,(H,15,17,18).
What are the key properties of [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 319.39 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 110271885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).