(4-methylthiophen-2-yl)-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone

C14H15N3O2S — CID 122243361

IUPAC(4-methylthiophen-2-yl)-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone
SMILESCc1csc(C(=O)N2CCC(Oc3ccncn3)C2)c1
InChIInChI=1S/C14H15N3O2S/c1-10-6-12(20-8-10)14(18)17-5-3-11(7-17)19-13-2-4-15-9-16-13/h2,4,6,8-9,11H,3,5,7H2,1H3
InChIKeyBWDMNZZFGGFQKW-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.14
Rot. Bonds3

About (4-methylthiophen-2-yl)-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone

(4-methylthiophen-2-yl)-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone (PubChem CID 122243361) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is (4-methylthiophen-2-yl)-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylthiophen-2-yl)-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone
PubChem CID122243361
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name(4-methylthiophen-2-yl)-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone
SMILESCc1csc(C(=O)N2CCC(Oc3ccncn3)C2)c1
InChIInChI=1S/C14H15N3O2S/c1-10-6-12(20-8-10)14(18)17-5-3-11(7-17)19-13-2-4-15-9-16-13/h2,4,6,8-9,11H,3,5,7H2,1H3
InChIKeyBWDMNZZFGGFQKW-UHFFFAOYSA-N
XLogP2.14
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methylthiophen-2-yl)-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162010
[(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 100632006
[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 138988998
[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 100617746
3,3-dimethyl-1-(3-pyrimidin-4-yloxypyrrolidin-1-yl)butan-1-one
CID 122160875
naphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone
CID 122160882
(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259764
(4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247666
1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 121161803
(5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162110
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 122259782
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 122268155

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-2-yl)-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of (4-methylthiophen-2-yl)-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone (CID 122243361) is (4-methylthiophen-2-yl)-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-methylthiophen-2-yl)-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for (4-methylthiophen-2-yl)-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone is Cc1csc(C(=O)N2CCC(Oc3ccncn3)C2)c1.
What is the InChIKey of (4-methylthiophen-2-yl)-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone?
The InChIKey is BWDMNZZFGGFQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-10-6-12(20-8-10)14(18)17-5-3-11(7-17)19-13-2-4-15-9-16-13/h2,4,6,8-9,11H,3,5,7H2,1H3.
What are the key properties of (4-methylthiophen-2-yl)-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone?
(4-methylthiophen-2-yl)-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone has a molecular weight of 289.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-2-yl)-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 122243361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).