5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine

C9H15N3O2S — CID 63208027

IUPAC5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine
SMILESCc1cnc(NCCCS(C)(=O)=O)nc1
InChIInChI=1S/C9H15N3O2S/c1-8-6-11-9(12-7-8)10-4-3-5-15(2,13)14/h6-7H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyYWCXRQDBCRXBAQ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.63
Rot. Bonds5

About 5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine

5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine (PubChem CID 63208027) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine
PubChem CID63208027
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine
SMILESCc1cnc(NCCCS(C)(=O)=O)nc1
InChIInChI=1S/C9H15N3O2S/c1-8-6-11-9(12-7-8)10-4-3-5-15(2,13)14/h6-7H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyYWCXRQDBCRXBAQ-UHFFFAOYSA-N
XLogP0.63
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine (CID 63208027) is 5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine is Cc1cnc(NCCCS(C)(=O)=O)nc1.
What is the InChIKey of 5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine?
The InChIKey is YWCXRQDBCRXBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-8-6-11-9(12-7-8)10-4-3-5-15(2,13)14/h6-7H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of 5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine?
5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine has a molecular weight of 229.30 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 63208027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).