N-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-2-cyclohexylacetamide

C19H24N4O3S — CID 145138075

IUPACN-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-2-cyclohexylacetamide
SMILESCc1cc(-c2cccc(S(=O)(=O)NC(=O)CC3CCCCC3)c2)nc(N)n1
InChIInChI=1S/C19H24N4O3S/c1-13-10-17(22-19(20)21-13)15-8-5-9-16(12-15)27(25,26)23-18(24)11-14-6-3-2-4-7-14/h5,8-10,12,14H,2-4,6-7,11H2,1H3,(H,23,24)(H2,20,21,22)
InChIKeyIJSGHAUIMSLOIY-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.81
Rot. Bonds5

About N-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-2-cyclohexylacetamide

N-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-2-cyclohexylacetamide (PubChem CID 145138075) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-2-cyclohexylacetamide
PubChem CID145138075
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-2-cyclohexylacetamide
SMILESCc1cc(-c2cccc(S(=O)(=O)NC(=O)CC3CCCCC3)c2)nc(N)n1
InChIInChI=1S/C19H24N4O3S/c1-13-10-17(22-19(20)21-13)15-8-5-9-16(12-15)27(25,26)23-18(24)11-14-6-3-2-4-7-14/h5,8-10,12,14H,2-4,6-7,11H2,1H3,(H,23,24)(H2,20,21,22)
InChIKeyIJSGHAUIMSLOIY-UHFFFAOYSA-N
XLogP2.81
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-2-cyclohexylacetamide?
The IUPAC name of N-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-2-cyclohexylacetamide (CID 145138075) is N-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-2-cyclohexylacetamide.
What is the SMILES notation for N-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-2-cyclohexylacetamide?
The canonical SMILES for N-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-2-cyclohexylacetamide is Cc1cc(-c2cccc(S(=O)(=O)NC(=O)CC3CCCCC3)c2)nc(N)n1.
What is the InChIKey of N-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-2-cyclohexylacetamide?
The InChIKey is IJSGHAUIMSLOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-13-10-17(22-19(20)21-13)15-8-5-9-16(12-15)27(25,26)23-18(24)11-14-6-3-2-4-7-14/h5,8-10,12,14H,2-4,6-7,11H2,1H3,(H,23,24)(H2,20,21,22).
What are the key properties of N-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-2-cyclohexylacetamide?
N-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-2-cyclohexylacetamide has a molecular weight of 388.49 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-2-cyclohexylacetamide is sourced from PubChem (CID 145138075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).