[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone

C14H17N5O2S — CID 95847629

IUPAC[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
SMILESCNc1cc([C@@H]2CN(C(=O)c3cncs3)CCO2)nc(C)n1
InChIInChI=1S/C14H17N5O2S/c1-9-17-10(5-13(15-2)18-9)11-7-19(3-4-21-11)14(20)12-6-16-8-22-12/h5-6,8,11H,3-4,7H2,1-2H3,(H,15,17,18)/t11-/m0/s1
InChIKeyDFMACJXRBSDFBL-NSHDSACASA-N
MW319.39 g/mol
LogP1.50
Rot. Bonds3

About [(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone

[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 95847629) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is [(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID95847629
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
SMILESCNc1cc([C@@H]2CN(C(=O)c3cncs3)CCO2)nc(C)n1
InChIInChI=1S/C14H17N5O2S/c1-9-17-10(5-13(15-2)18-9)11-7-19(3-4-21-11)14(20)12-6-16-8-22-12/h5-6,8,11H,3-4,7H2,1-2H3,(H,15,17,18)/t11-/m0/s1
InChIKeyDFMACJXRBSDFBL-NSHDSACASA-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 [(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone (CID 95847629) is [(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone is CNc1cc([C@@H]2CN(C(=O)c3cncs3)CCO2)nc(C)n1.
What is the InChIKey of [(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is DFMACJXRBSDFBL-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-9-17-10(5-13(15-2)18-9)11-7-19(3-4-21-11)14(20)12-6-16-8-22-12/h5-6,8,11H,3-4,7H2,1-2H3,(H,15,17,18)/t11-/m0/s1.
What are the key properties of [(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone?
[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-5-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 [(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 95847629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).