2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetic acid

C6H10N2O2S — CID 3137296

IUPAC2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetic acid
SMILESO=C(O)CSC1=NCCCN1
InChIInChI=1S/C6H10N2O2S/c9-5(10)4-11-6-7-2-1-3-8-6/h1-4H2,(H,7,8)(H,9,10)
InChIKeyOPCOYRFPEJPYGN-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.15
Rot. Bonds2

About 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetic acid

2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetic acid (PubChem CID 3137296) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetic acid.

Molecular Properties

Compound Name2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetic acid
PubChem CID3137296
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetic acid
SMILESO=C(O)CSC1=NCCCN1
InChIInChI=1S/C6H10N2O2S/c9-5(10)4-11-6-7-2-1-3-8-6/h1-4H2,(H,7,8)(H,9,10)
InChIKeyOPCOYRFPEJPYGN-UHFFFAOYSA-N
XLogP0.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetic acid
CID 314325
2-((4,5-Dihydro-1H-imidazol-2-yl)thio)acetic acid hydrochloride
CID 54605425
3-(4,5-Dihydro-1,3-thiazol-2-ylamino)propanoic acid
CID 10702379
Ethyl (1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetate
CID 5200502
[(5,5-Dimethyl-1,4,5,6-tetrahydro-2-pyrimidinyl)thio]acetic acid hydrochloride
CID 44784752
[(5,5-Dimethyl-1,4,5,6-tetrahydro-2-pyrimidinyl)thio]acetic acid hydrobromide
CID 129791576
(4,5,6,7-Tetrahydro-1h-1,3-diazepin-2-ylthio)acetic acid
CID 129793450
3-[(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoic acid
CID 68210523
2-[N'-methyl-N-(2-methylpropyl)carbamimidoyl]sulfanylacetic acid
CID 123574264
[(1-Methyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetic acid
CID 3371188
[(5,5-Dimethyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetic acid
CID 3549091
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetic acid chloride
CID 5351807

Frequently Asked Questions

What is the IUPAC name of 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetic acid?
The IUPAC name of 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetic acid (CID 3137296) is 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetic acid.
What is the SMILES notation for 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetic acid?
The canonical SMILES for 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetic acid is O=C(O)CSC1=NCCCN1.
What is the InChIKey of 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetic acid?
The InChIKey is OPCOYRFPEJPYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c9-5(10)4-11-6-7-2-1-3-8-6/h1-4H2,(H,7,8)(H,9,10).
What are the key properties of 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetic acid?
2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetic acid has a molecular weight of 174.22 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetic acid is sourced from PubChem (CID 3137296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).