2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol

C11H17N3OS — CID 106973483

IUPAC2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
SMILESCSc1cc(N(CCO)C2CCC2)ncn1
InChIInChI=1S/C11H17N3OS/c1-16-11-7-10(12-8-13-11)14(5-6-15)9-3-2-4-9/h7-9,15H,2-6H2,1H3
InChIKeyXHPMUFCAEMMBHD-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.55
Rot. Bonds5

About 2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol

2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol (PubChem CID 106973483) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
PubChem CID106973483
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
SMILESCSc1cc(N(CCO)C2CCC2)ncn1
InChIInChI=1S/C11H17N3OS/c1-16-11-7-10(12-8-13-11)14(5-6-15)9-3-2-4-9/h7-9,15H,2-6H2,1H3
InChIKeyXHPMUFCAEMMBHD-UHFFFAOYSA-N
XLogP1.55
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-cyclopropyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine
CID 106973855
2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810613
2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810817
2-[cyclopropyl-(6-methylsulfanylpyrimidin-4-yl)amino]acetic acid
CID 106972190
2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 106973430
2-[cyclopentyl-(6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80905074
6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 106973223
2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80811058
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80811563
2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 106973440
2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol
CID 102675205
2-[cyclohexyl-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol
CID 125171874

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol (CID 106973483) is 2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol is CSc1cc(N(CCO)C2CCC2)ncn1.
What is the InChIKey of 2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol?
The InChIKey is XHPMUFCAEMMBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-16-11-7-10(12-8-13-11)14(5-6-15)9-3-2-4-9/h7-9,15H,2-6H2,1H3.
What are the key properties of 2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol?
2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol has a molecular weight of 239.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 106973483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).