[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone

C15H17N3OS — CID 175652473

IUPAC[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESCc1cc(C)nc(C2CCN(C(=O)c3ccsc3)C2)n1
InChIInChI=1S/C15H17N3OS/c1-10-7-11(2)17-14(16-10)12-3-5-18(8-12)15(19)13-4-6-20-9-13/h4,6-7,9,12H,3,5,8H2,1-2H3
InChIKeyNXZRFQLXJVRQJD-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.78
Rot. Bonds2

About [3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone

[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 175652473) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is [3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
PubChem CID175652473
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESCc1cc(C)nc(C2CCN(C(=O)c3ccsc3)C2)n1
InChIInChI=1S/C15H17N3OS/c1-10-7-11(2)17-14(16-10)12-3-5-18(8-12)15(19)13-4-6-20-9-13/h4,6-7,9,12H,3,5,8H2,1-2H3
InChIKeyNXZRFQLXJVRQJD-UHFFFAOYSA-N
XLogP2.78
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 127246649
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-thiophen-3-ylmethanone
CID 122257905
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110269232
3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid
CID 91368528
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 110259339
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 124971094
[(3S)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 129418244
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-thiophen-3-ylmethanone
CID 122260371
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 124953187
[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 110132844
(3,4-dichlorophenyl)-[4-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)piperidin-1-yl]methanone
CID 110245805
[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 71780427

Frequently Asked Questions

What is the IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone (CID 175652473) is [3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone is Cc1cc(C)nc(C2CCN(C(=O)c3ccsc3)C2)n1.
What is the InChIKey of [3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is NXZRFQLXJVRQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-7-11(2)17-14(16-10)12-3-5-18(8-12)15(19)13-4-6-20-9-13/h4,6-7,9,12H,3,5,8H2,1-2H3.
What are the key properties of [3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 287.39 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 175652473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).