2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one

C7H10N2O2S — CID 65130665

IUPAC2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCSCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H10N2O2S/c1-2-12-4-5-8-6(10)3-7(11)9-5/h3H,2,4H2,1H3,(H2,8,9,10,11)
InChIKeySRDSINZHFCOUPK-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.73
Rot. Bonds3

About 2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one

2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 65130665) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID65130665
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCSCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H10N2O2S/c1-2-12-4-5-8-6(10)3-7(11)9-5/h3H,2,4H2,1H3,(H2,8,9,10,11)
InChIKeySRDSINZHFCOUPK-UHFFFAOYSA-N
XLogP0.73
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one (CID 65130665) is 2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one is CCSCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is SRDSINZHFCOUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-12-4-5-8-6(10)3-7(11)9-5/h3H,2,4H2,1H3,(H2,8,9,10,11).
What are the key properties of 2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 186.24 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 65130665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).