5-(aminomethyl)-6-methylsulfonyl-1H-pyrimidin-2-one

C6H9N3O3S — CID 133057501

IUPAC5-(aminomethyl)-6-methylsulfonyl-1H-pyrimidin-2-one
SMILESCS(=O)(=O)c1[nH]c(=O)ncc1CN
InChIInChI=1S/C6H9N3O3S/c1-13(11,12)5-4(2-7)3-8-6(10)9-5/h3H,2,7H2,1H3,(H,8,9,10)
InChIKeyCVJQUTVEMFUUBZ-UHFFFAOYSA-N
MW203.22 g/mol
LogP-1.37
Rot. Bonds2

About 5-(aminomethyl)-6-methylsulfonyl-1H-pyrimidin-2-one

5-(aminomethyl)-6-methylsulfonyl-1H-pyrimidin-2-one (PubChem CID 133057501) has the molecular formula C6H9N3O3S and a molecular weight of 203.22 g/mol. Its IUPAC name is 5-(aminomethyl)-6-methylsulfonyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-6-methylsulfonyl-1H-pyrimidin-2-one
PubChem CID133057501
Molecular FormulaC6H9N3O3S
Molecular Weight203.22 g/mol
Exact Mass203.04
IUPAC Name5-(aminomethyl)-6-methylsulfonyl-1H-pyrimidin-2-one
SMILESCS(=O)(=O)c1[nH]c(=O)ncc1CN
InChIInChI=1S/C6H9N3O3S/c1-13(11,12)5-4(2-7)3-8-6(10)9-5/h3H,2,7H2,1H3,(H,8,9,10)
InChIKeyCVJQUTVEMFUUBZ-UHFFFAOYSA-N
XLogP-1.37
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(aminomethyl)-6-methylsulfonyl-1H-pyrimidin-2-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 5-(aminomethyl)-6-methylsulfonyl-1H-pyrimidin-2-one?
The IUPAC name of 5-(aminomethyl)-6-methylsulfonyl-1H-pyrimidin-2-one (CID 133057501) is 5-(aminomethyl)-6-methylsulfonyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-6-methylsulfonyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-(aminomethyl)-6-methylsulfonyl-1H-pyrimidin-2-one is CS(=O)(=O)c1[nH]c(=O)ncc1CN.
What is the InChIKey of 5-(aminomethyl)-6-methylsulfonyl-1H-pyrimidin-2-one?
The InChIKey is CVJQUTVEMFUUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3S/c1-13(11,12)5-4(2-7)3-8-6(10)9-5/h3H,2,7H2,1H3,(H,8,9,10).
What are the key properties of 5-(aminomethyl)-6-methylsulfonyl-1H-pyrimidin-2-one?
5-(aminomethyl)-6-methylsulfonyl-1H-pyrimidin-2-one has a molecular weight of 203.22 g/mol, XLogP of -1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-methylsulfonyl-1H-pyrimidin-2-one is sourced from PubChem (CID 133057501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).