6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide

C10H15N5S — CID 107550114

IUPAC6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N2CCSCC2)n1
InChIInChI=1S/C10H15N5S/c1-7-6-8(9(11)12)14-10(13-7)15-2-4-16-5-3-15/h6H,2-5H2,1H3,(H3,11,12)
InChIKeyJMCVAAMHDXQWLR-UHFFFAOYSA-N
MW237.33 g/mol
LogP0.62
Rot. Bonds2

About 6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide

6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide (PubChem CID 107550114) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide
PubChem CID107550114
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N2CCSCC2)n1
InChIInChI=1S/C10H15N5S/c1-7-6-8(9(11)12)14-10(13-7)15-2-4-16-5-3-15/h6H,2-5H2,1H3,(H3,11,12)
InChIKeyJMCVAAMHDXQWLR-UHFFFAOYSA-N
XLogP0.62
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550744
2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550246
2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550402
6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
CID 107550566
2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550425
6-methyl-2-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboximidamide
CID 107550371
2-imidazol-1-yl-6-methylpyrimidine-4-carboximidamide
CID 107550765
6-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidine-4-carboximidamide
CID 107550721
2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide
CID 81278736
2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550799
6-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboximidamide
CID 107550091
2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550128

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide?
The IUPAC name of 6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide (CID 107550114) is 6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide.
What is the SMILES notation for 6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide?
The canonical SMILES for 6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N2CCSCC2)n1.
What is the InChIKey of 6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide?
The InChIKey is JMCVAAMHDXQWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-7-6-8(9(11)12)14-10(13-7)15-2-4-16-5-3-15/h6H,2-5H2,1H3,(H3,11,12).
What are the key properties of 6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide?
6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide has a molecular weight of 237.33 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107550114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).