3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidine-6-thione

C7H12N2OS — CID 170142672

IUPAC3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidine-6-thione
SMILESCCN1C=C(C)C(=S)NC1O
InChIInChI=1S/C7H12N2OS/c1-3-9-4-5(2)6(11)8-7(9)10/h4,7,10H,3H2,1-2H3,(H,8,11)
InChIKeyMMPPEJINZBJNMA-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.42
Rot. Bonds1

About 3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidine-6-thione

3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidine-6-thione (PubChem CID 170142672) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidine-6-thione.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidine-6-thione
PubChem CID170142672
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidine-6-thione
SMILESCCN1C=C(C)C(=S)NC1O
InChIInChI=1S/C7H12N2OS/c1-3-9-4-5(2)6(11)8-7(9)10/h4,7,10H,3H2,1-2H3,(H,8,11)
InChIKeyMMPPEJINZBJNMA-UHFFFAOYSA-N
XLogP0.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one
CID 163645957
1,5-diethyl-3-methyl-2H-pyridin-2-ol
CID 123967917
1-ethyl-2-hydroxy-4-methyl-2H-pyridine-5-carboxamide
CID 91872349
4-ethyl-3-(3-hydroxycyclobutyl)-1H-1,2,4-triazole-5-thione
CID 115389624
3,5-diethyl-2H-1,3-thiazol-2-amine
CID 174603976
2-hydroxy-3-pentan-3-yl-1,2-dihydropyrimidin-6-one
CID 90854752
2,6-diamino-3-ethyl-1,2-dihydropyrimidine-4-thione
CID 19095456
4-ethyl-3-[methyl-(2-methylcyclohexyl)amino]-1H-1,2,4-triazole-5-thione
CID 55004947
(3S,4R)-1-ethyl-3-methylpiperidin-4-ol
CID 143448112
ethyl 2-(6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl)acetate
CID 155378640
1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(3-methylphenyl)thiourea
CID 2408802
[6-(4-bromophenyl)-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]-phenylmethanone
CID 3515563

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidine-6-thione?
The IUPAC name of 3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidine-6-thione (CID 170142672) is 3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidine-6-thione.
What is the SMILES notation for 3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidine-6-thione?
The canonical SMILES for 3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidine-6-thione is CCN1C=C(C)C(=S)NC1O.
What is the InChIKey of 3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidine-6-thione?
The InChIKey is MMPPEJINZBJNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-3-9-4-5(2)6(11)8-7(9)10/h4,7,10H,3H2,1-2H3,(H,8,11).
What are the key properties of 3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidine-6-thione?
3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidine-6-thione has a molecular weight of 172.25 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidine-6-thione is sourced from PubChem (CID 170142672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).