2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]ethanol

C11H15N3OS — CID 82243481

IUPAC2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]ethanol
SMILESOCCSc1ncccc1C1=NCCCN1
InChIInChI=1S/C11H15N3OS/c15-7-8-16-11-9(3-1-4-14-11)10-12-5-2-6-13-10/h1,3-4,15H,2,5-8H2,(H,12,13)
InChIKeyQMRQSGHCQBBQOI-UHFFFAOYSA-N
MW237.33 g/mol
LogP0.91
Rot. Bonds4

About 2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]ethanol

2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]ethanol (PubChem CID 82243481) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]ethanol.

Molecular Properties

Compound Name2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]ethanol
PubChem CID82243481
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]ethanol
SMILESOCCSc1ncccc1C1=NCCCN1
InChIInChI=1S/C11H15N3OS/c15-7-8-16-11-9(3-1-4-14-11)10-12-5-2-6-13-10/h1,3-4,15H,2,5-8H2,(H,12,13)
InChIKeyQMRQSGHCQBBQOI-UHFFFAOYSA-N
XLogP0.91
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]acetic acid
CID 82244984
3-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]sulfanyl]propane-1,2-diol
CID 82245188
[1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidin-4-yl]methanol
CID 82247966
2-[N-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]ethanol
CID 82243113
2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine
CID 82247194
2-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744993
1-morpholin-4-yl-2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]oxy]ethanone
CID 82252518
1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 82250249
2-(naphthalen-1-ylsulfanylmethyl)-3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol
CID 142044184
6-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]-3H-azepine
CID 143152937
2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82246354
3-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]propanoic acid
CID 82244461

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]ethanol?
The IUPAC name of 2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]ethanol (CID 82243481) is 2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]ethanol.
What is the SMILES notation for 2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]ethanol?
The canonical SMILES for 2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]ethanol is OCCSc1ncccc1C1=NCCCN1.
What is the InChIKey of 2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]ethanol?
The InChIKey is QMRQSGHCQBBQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c15-7-8-16-11-9(3-1-4-14-11)10-12-5-2-6-13-10/h1,3-4,15H,2,5-8H2,(H,12,13).
What are the key properties of 2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]ethanol?
2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]ethanol has a molecular weight of 237.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]ethanol is sourced from PubChem (CID 82243481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).