2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol

C12H20N4OS — CID 114802808

IUPAC2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
SMILESCNc1cc(N2CCC(CCO)C2)nc(SC)n1
InChIInChI=1S/C12H20N4OS/c1-13-10-7-11(15-12(14-10)18-2)16-5-3-9(8-16)4-6-17/h7,9,17H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyRQCQFZVNBMLNHZ-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.45
Rot. Bonds5

About 2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol

2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol (PubChem CID 114802808) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
PubChem CID114802808
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
SMILESCNc1cc(N2CCC(CCO)C2)nc(SC)n1
InChIInChI=1S/C12H20N4OS/c1-13-10-7-11(15-12(14-10)18-2)16-5-3-9(8-16)4-6-17/h7,9,17H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyRQCQFZVNBMLNHZ-UHFFFAOYSA-N
XLogP1.45
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol
CID 80792404
N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80822489
[1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629757
1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol
CID 80763962
6-(3,4-dimethylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80834108
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80854581
N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847744
[1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629494
ethane;N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 90766757
N-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772947
2-[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114799563
2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-yl]acetamide
CID 80785670

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol (CID 114802808) is 2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol is CNc1cc(N2CCC(CCO)C2)nc(SC)n1.
What is the InChIKey of 2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is RQCQFZVNBMLNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-13-10-7-11(15-12(14-10)18-2)16-5-3-9(8-16)4-6-17/h7,9,17H,3-6,8H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol has a molecular weight of 268.39 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114802808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).