4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine

C15H18N4OS — CID 155975796

IUPAC4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine
SMILESCSc1nccc(N2CCC(Oc3ccncc3C)C2)n1
InChIInChI=1S/C15H18N4OS/c1-11-9-16-6-3-13(11)20-12-5-8-19(10-12)14-4-7-17-15(18-14)21-2/h3-4,6-7,9,12H,5,8,10H2,1-2H3
InChIKeyUWFPLSNGFCOYCL-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.56
Rot. Bonds4

About 4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine

4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine (PubChem CID 155975796) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine
PubChem CID155975796
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine
SMILESCSc1nccc(N2CCC(Oc3ccncc3C)C2)n1
InChIInChI=1S/C15H18N4OS/c1-11-9-16-6-3-13(11)20-12-5-8-19(10-12)14-4-7-17-15(18-14)21-2/h3-4,6-7,9,12H,5,8,10H2,1-2H3
InChIKeyUWFPLSNGFCOYCL-UHFFFAOYSA-N
XLogP2.56
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-5-fluoro-6-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrimidine
CID 155975774
3-cyclopropyl-5-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 155975703
2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine
CID 166605850
2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine
CID 154781851
4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 155976329
[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602561
2-methylsulfanyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 154583173
2-cyclopropyl-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 155800048
2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine
CID 139027125
2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172892095
4-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpyrimidine
CID 125423872
6-methoxy-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171993855

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine?
The IUPAC name of 4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine (CID 155975796) is 4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine is CSc1nccc(N2CCC(Oc3ccncc3C)C2)n1.
What is the InChIKey of 4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine?
The InChIKey is UWFPLSNGFCOYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-11-9-16-6-3-13(11)20-12-5-8-19(10-12)14-4-7-17-15(18-14)21-2/h3-4,6-7,9,12H,5,8,10H2,1-2H3.
What are the key properties of 4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine?
4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine has a molecular weight of 302.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine is sourced from PubChem (CID 155975796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).