[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

C16H20N4O2S — CID 121017568

IUPAC[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1cc(C)nc(OC2CCN(C(=O)c3sc(C)nc3C)C2)n1
InChIInChI=1S/C16H20N4O2S/c1-9-7-10(2)18-16(17-9)22-13-5-6-20(8-13)15(21)14-11(3)19-12(4)23-14/h7,13H,5-6,8H2,1-4H3
InChIKeyDPSUHUSJHZMDFL-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.46
Rot. Bonds3

About [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (PubChem CID 121017568) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
PubChem CID121017568
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1cc(C)nc(OC2CCN(C(=O)c3sc(C)nc3C)C2)n1
InChIInChI=1S/C16H20N4O2S/c1-9-7-10(2)18-16(17-9)22-13-5-6-20(8-13)15(21)14-11(3)19-12(4)23-14/h7,13H,5-6,8H2,1-4H3
InChIKeyDPSUHUSJHZMDFL-UHFFFAOYSA-N
XLogP2.46
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753272
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100621693
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268109
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129355047
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121017571
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 121017545
[(3R)-3-aminopyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 103805034
(2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 91627672
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 119100305
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 129355591
1,3-benzodioxol-5-yl-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 124891027
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 129355538

Frequently Asked Questions

What is the IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (CID 121017568) is [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is Cc1cc(C)nc(OC2CCN(C(=O)c3sc(C)nc3C)C2)n1.
What is the InChIKey of [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The InChIKey is DPSUHUSJHZMDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-9-7-10(2)18-16(17-9)22-13-5-6-20(8-13)15(21)14-11(3)19-12(4)23-14/h7,13H,5-6,8H2,1-4H3.
What are the key properties of [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone has a molecular weight of 332.43 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 121017568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).