(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanamine

C13H21N3O3S — CID 102950649

IUPAC(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanamine
SMILESCOc1cc(C(N)C2CCCC(S(C)(=O)=O)C2)ncn1
InChIInChI=1S/C13H21N3O3S/c1-19-12-7-11(15-8-16-12)13(14)9-4-3-5-10(6-9)20(2,17)18/h7-10,13H,3-6,14H2,1-2H3
InChIKeyTZAQQXKTZIUYIC-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.09
Rot. Bonds4

About (6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanamine

(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanamine (PubChem CID 102950649) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is (6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound Name(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanamine
PubChem CID102950649
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanamine
SMILESCOc1cc(C(N)C2CCCC(S(C)(=O)=O)C2)ncn1
InChIInChI=1S/C13H21N3O3S/c1-19-12-7-11(15-8-16-12)13(14)9-4-3-5-10(6-9)20(2,17)18/h7-10,13H,3-6,14H2,1-2H3
InChIKeyTZAQQXKTZIUYIC-UHFFFAOYSA-N
XLogP1.09
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 102953369
(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanone
CID 102950080
cyclobutyl-(6-methoxypyrimidin-4-yl)methanol
CID 102950436
(3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105168772
(4-bromo-2-methoxyphenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014385
(3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107976498
[cycloheptyl-(6-methoxypyrimidin-4-yl)methyl]hydrazine
CID 102953192
(4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014321
(5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
CID 105114882
(5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014349
(2-methylfuran-3-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 104789652
(3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine
CID 105014295

Frequently Asked Questions

What is the IUPAC name of (6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanamine?
The IUPAC name of (6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanamine (CID 102950649) is (6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for (6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanamine?
The canonical SMILES for (6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanamine is COc1cc(C(N)C2CCCC(S(C)(=O)=O)C2)ncn1.
What is the InChIKey of (6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanamine?
The InChIKey is TZAQQXKTZIUYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-19-12-7-11(15-8-16-12)13(14)9-4-3-5-10(6-9)20(2,17)18/h7-10,13H,3-6,14H2,1-2H3.
What are the key properties of (6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanamine?
(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanamine has a molecular weight of 299.40 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 102950649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).