[(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone

C15H19N5O2S — CID 125016495

IUPAC[(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1cc(N(C)C)nc([C@H]2COCCN2C(=O)c2cscn2)n1
InChIInChI=1S/C15H19N5O2S/c1-10-6-13(19(2)3)18-14(17-10)12-7-22-5-4-20(12)15(21)11-8-23-9-16-11/h6,8-9,12H,4-5,7H2,1-3H3/t12-/m1/s1
InChIKeyXAYLICADUXJOBL-GFCCVEGCSA-N
MW333.42 g/mol
LogP1.52
Rot. Bonds3

About [(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone

[(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 125016495) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is [(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID125016495
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name[(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1cc(N(C)C)nc([C@H]2COCCN2C(=O)c2cscn2)n1
InChIInChI=1S/C15H19N5O2S/c1-10-6-13(19(2)3)18-14(17-10)12-7-22-5-4-20(12)15(21)11-8-23-9-16-11/h6,8-9,12H,4-5,7H2,1-3H3/t12-/m1/s1
InChIKeyXAYLICADUXJOBL-GFCCVEGCSA-N
XLogP1.52
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone (CID 125016495) is [(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone is Cc1cc(N(C)C)nc([C@H]2COCCN2C(=O)c2cscn2)n1.
What is the InChIKey of [(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is XAYLICADUXJOBL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-10-6-13(19(2)3)18-14(17-10)12-7-22-5-4-20(12)15(21)11-8-23-9-16-11/h6,8-9,12H,4-5,7H2,1-3H3/t12-/m1/s1.
What are the key properties of [(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
[(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 333.42 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 125016495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).