2-(3-methylsulfonylthiomorpholin-4-yl)pyrimidine-4-carboximidamide

C10H15N5O2S2 — CID 107550579

IUPAC2-(3-methylsulfonylthiomorpholin-4-yl)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCSCC2S(C)(=O)=O)n1
InChIInChI=1S/C10H15N5O2S2/c1-19(16,17)8-6-18-5-4-15(8)10-13-3-2-7(14-10)9(11)12/h2-3,8H,4-6H2,1H3,(H3,11,12)
InChIKeyFJRWACFQTGLVCX-UHFFFAOYSA-N
MW301.40 g/mol
LogP-0.32
Rot. Bonds3

About 2-(3-methylsulfonylthiomorpholin-4-yl)pyrimidine-4-carboximidamide

2-(3-methylsulfonylthiomorpholin-4-yl)pyrimidine-4-carboximidamide (PubChem CID 107550579) has the molecular formula C10H15N5O2S2 and a molecular weight of 301.40 g/mol. Its IUPAC name is 2-(3-methylsulfonylthiomorpholin-4-yl)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(3-methylsulfonylthiomorpholin-4-yl)pyrimidine-4-carboximidamide
PubChem CID107550579
Molecular FormulaC10H15N5O2S2
Molecular Weight301.40 g/mol
Exact Mass301.07
IUPAC Name2-(3-methylsulfonylthiomorpholin-4-yl)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCSCC2S(C)(=O)=O)n1
InChIInChI=1S/C10H15N5O2S2/c1-19(16,17)8-6-18-5-4-15(8)10-13-3-2-7(14-10)9(11)12/h2-3,8H,4-6H2,1H3,(H3,11,12)
InChIKeyFJRWACFQTGLVCX-UHFFFAOYSA-N
XLogP-0.32
TPSA113.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylsulfonylthiomorpholin-4-yl)pyrimidine-4-carbonitrile
CID 107544773
6-(3-methylsulfonylthiomorpholin-4-yl)pyridine-2-carbothioamide
CID 66382679
4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)benzenecarboximidamide
CID 66383560
3-fluoro-4-(3-methylsulfonylthiomorpholin-4-yl)benzenecarboximidamide
CID 66384135
2-bromo-4-(3-methylsulfonylthiomorpholin-4-yl)benzenecarboximidamide
CID 107279347
4-(6-bromo-2-pyridinyl)-3-methylsulfonylthiomorpholine
CID 66383475
2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550631
6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine
CID 80648375
2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550685
2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine
CID 66382975
3-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)pyridine-4-carboxylic acid
CID 105382451
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide
CID 107550636

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylthiomorpholin-4-yl)pyrimidine-4-carboximidamide?
The IUPAC name of 2-(3-methylsulfonylthiomorpholin-4-yl)pyrimidine-4-carboximidamide (CID 107550579) is 2-(3-methylsulfonylthiomorpholin-4-yl)pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(3-methylsulfonylthiomorpholin-4-yl)pyrimidine-4-carboximidamide?
The canonical SMILES for 2-(3-methylsulfonylthiomorpholin-4-yl)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N2CCSCC2S(C)(=O)=O)n1.
What is the InChIKey of 2-(3-methylsulfonylthiomorpholin-4-yl)pyrimidine-4-carboximidamide?
The InChIKey is FJRWACFQTGLVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S2/c1-19(16,17)8-6-18-5-4-15(8)10-13-3-2-7(14-10)9(11)12/h2-3,8H,4-6H2,1H3,(H3,11,12).
What are the key properties of 2-(3-methylsulfonylthiomorpholin-4-yl)pyrimidine-4-carboximidamide?
2-(3-methylsulfonylthiomorpholin-4-yl)pyrimidine-4-carboximidamide has a molecular weight of 301.40 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylthiomorpholin-4-yl)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107550579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).