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

C14H17N5O2S — CID 125023396

IUPAC[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESCNc1cc(C)nc([C@H]2COCCN2C(=O)c2cscn2)n1
InChIInChI=1S/C14H17N5O2S/c1-9-5-12(15-2)18-13(17-9)11-6-21-4-3-19(11)14(20)10-7-22-8-16-10/h5,7-8,11H,3-4,6H2,1-2H3,(H,15,17,18)/t11-/m1/s1
InChIKeyYXWZJBVUQOVFCP-LLVKDONJSA-N
MW319.39 g/mol
LogP1.50
Rot. Bonds3

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

[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 125023396) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is [(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID125023396
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESCNc1cc(C)nc([C@H]2COCCN2C(=O)c2cscn2)n1
InChIInChI=1S/C14H17N5O2S/c1-9-5-12(15-2)18-13(17-9)11-6-21-4-3-19(11)14(20)10-7-22-8-16-10/h5,7-8,11H,3-4,6H2,1-2H3,(H,15,17,18)/t11-/m1/s1
InChIKeyYXWZJBVUQOVFCP-LLVKDONJSA-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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Related Compounds

[(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 125016495
[(3R)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 124967847
3-methoxy-1-[3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one
CID 110113786
N-methyl-4-(1,3-thiazole-4-carbonyl)morpholine-3-carboxamide
CID 83100296
2-[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]ethanol
CID 124962756
N,6-dimethyl-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine
CID 125025039
1-[(3R)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 124940280
N,N-dimethyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholine-4-sulfonamide
CID 110113783
N,6-dimethyl-2-[(3S)-4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 124980115
N,6-dimethyl-2-[(3R)-4-(1-methylpiperidin-4-yl)morpholin-3-yl]pyrimidin-4-amine
CID 124941290
N,6-dimethyl-2-[(3R)-4-[(5-methylthiophen-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 125024721
[(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(3-methyl-2-pyridinyl)methanone
CID 124990143

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone (CID 125023396) is [(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone is CNc1cc(C)nc([C@H]2COCCN2C(=O)c2cscn2)n1.
What is the InChIKey of [(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is YXWZJBVUQOVFCP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-9-5-12(15-2)18-13(17-9)11-6-21-4-3-19(11)14(20)10-7-22-8-16-10/h5,7-8,11H,3-4,6H2,1-2H3,(H,15,17,18)/t11-/m1/s1.
What are the key properties of [(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-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 [(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 125023396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).