2-methylsulfanyl-4-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine

C16H23N5S — CID 97192607

IUPAC2-methylsulfanyl-4-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
SMILESCSc1nccc(N2CCC[C@@H](c3nccn3C(C)C)C2)n1
InChIInChI=1S/C16H23N5S/c1-12(2)21-10-8-17-15(21)13-5-4-9-20(11-13)14-6-7-18-16(19-14)22-3/h6-8,10,12-13H,4-5,9,11H2,1-3H3/t13-/m1/s1
InChIKeyWHYXLUZHUOVCMG-CYBMUJFWSA-N
MW317.46 g/mol
LogP3.36
Rot. Bonds4

About 2-methylsulfanyl-4-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine

2-methylsulfanyl-4-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine (PubChem CID 97192607) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-methylsulfanyl-4-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-4-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
PubChem CID97192607
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC Name2-methylsulfanyl-4-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
SMILESCSc1nccc(N2CCC[C@@H](c3nccn3C(C)C)C2)n1
InChIInChI=1S/C16H23N5S/c1-12(2)21-10-8-17-15(21)13-5-4-9-20(11-13)14-6-7-18-16(19-14)22-3/h6-8,10,12-13H,4-5,9,11H2,1-3H3/t13-/m1/s1
InChIKeyWHYXLUZHUOVCMG-CYBMUJFWSA-N
XLogP3.36
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline
CID 72919508
3-(4-fluorophenyl)-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyridazine
CID 97195094
N,N-dimethyl-6-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine
CID 72864312
2-methyl-4-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
CID 72919107
2-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
CID 97187298
2-(4-methylsulfanylphenyl)-1-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 97273820
[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 155975861
2-methylsulfanyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97271296
tert-butyl N-[(3S)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 86329125
6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine
CID 97155887
[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602561
(3S)-1-pent-2-ynyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97195423

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-methylsulfanyl-4-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine (CID 97192607) is 2-methylsulfanyl-4-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-methylsulfanyl-4-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-methylsulfanyl-4-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine is CSc1nccc(N2CCC[C@@H](c3nccn3C(C)C)C2)n1.
What is the InChIKey of 2-methylsulfanyl-4-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine?
The InChIKey is WHYXLUZHUOVCMG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5S/c1-12(2)21-10-8-17-15(21)13-5-4-9-20(11-13)14-6-7-18-16(19-14)22-3/h6-8,10,12-13H,4-5,9,11H2,1-3H3/t13-/m1/s1.
What are the key properties of 2-methylsulfanyl-4-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine?
2-methylsulfanyl-4-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine has a molecular weight of 317.46 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 97192607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).