[(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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Related Compounds

[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 125023396
[(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(3-methyl-2-pyridinyl)methanone
CID 124990143
2-(dimethylamino)-1-[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]ethanone
CID 110113853
N,N,6-trimethyl-2-[(3R)-4-(1,3-thiazol-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 124995845
2-[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone
CID 110113847
N-methyl-4-(1,3-thiazole-4-carbonyl)morpholine-3-carboxamide
CID 83100296
[(3R)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 124967847
[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-(1,3-thiazol-4-yl)methanone
CID 95848122
[6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-(1,3-thiazol-4-yl)methanone
CID 110272129
(2,6-dimethyl-4-pyridinyl)-[(3R)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone
CID 97483353
N,N,6-trimethyl-2-[(3R)-4-(2-phenoxyethyl)morpholin-3-yl]pyrimidin-4-amine
CID 124998959
[(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95845523

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).