3-ethylsulfinyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]cyclohexan-1-amine

C18H24N4OS — CID 167950992

IUPAC3-ethylsulfinyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]cyclohexan-1-amine
SMILESCCS(=O)C1CCCC(NCc2ccnc(-c3ccccn3)n2)C1
InChIInChI=1S/C18H24N4OS/c1-2-24(23)16-7-5-6-14(12-16)21-13-15-9-11-20-18(22-15)17-8-3-4-10-19-17/h3-4,8-11,14,16,21H,2,5-7,12-13H2,1H3
InChIKeyGUQIHBZYKJWUDQ-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.71
Rot. Bonds6

About 3-ethylsulfinyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]cyclohexan-1-amine

3-ethylsulfinyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]cyclohexan-1-amine (PubChem CID 167950992) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-ethylsulfinyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethylsulfinyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]cyclohexan-1-amine
PubChem CID167950992
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name3-ethylsulfinyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]cyclohexan-1-amine
SMILESCCS(=O)C1CCCC(NCc2ccnc(-c3ccccn3)n2)C1
InChIInChI=1S/C18H24N4OS/c1-2-24(23)16-7-5-6-14(12-16)21-13-15-9-11-20-18(22-15)17-8-3-4-10-19-17/h3-4,8-11,14,16,21H,2,5-7,12-13H2,1H3
InChIKeyGUQIHBZYKJWUDQ-UHFFFAOYSA-N
XLogP2.71
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfinyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-ethylsulfinyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]cyclohexan-1-amine (CID 167950992) is 3-ethylsulfinyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-ethylsulfinyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-ethylsulfinyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]cyclohexan-1-amine is CCS(=O)C1CCCC(NCc2ccnc(-c3ccccn3)n2)C1.
What is the InChIKey of 3-ethylsulfinyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is GUQIHBZYKJWUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-2-24(23)16-7-5-6-14(12-16)21-13-15-9-11-20-18(22-15)17-8-3-4-10-19-17/h3-4,8-11,14,16,21H,2,5-7,12-13H2,1H3.
What are the key properties of 3-ethylsulfinyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]cyclohexan-1-amine?
3-ethylsulfinyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 344.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfinyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 167950992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).