N-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine

C14H23N3O2S — CID 136530984

IUPACN-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine
SMILESCCS(=O)C1CCCC(Nc2cc(C)nc(OC)n2)C1
InChIInChI=1S/C14H23N3O2S/c1-4-20(18)12-7-5-6-11(9-12)16-13-8-10(2)15-14(17-13)19-3/h8,11-12H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyFABNJYLTWYJZPF-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.29
Rot. Bonds5

About N-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine

N-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine (PubChem CID 136530984) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine
PubChem CID136530984
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine
SMILESCCS(=O)C1CCCC(Nc2cc(C)nc(OC)n2)C1
InChIInChI=1S/C14H23N3O2S/c1-4-20(18)12-7-5-6-11(9-12)16-13-8-10(2)15-14(17-13)19-3/h8,11-12H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyFABNJYLTWYJZPF-UHFFFAOYSA-N
XLogP2.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine
CID 133338221
2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine
CID 133336298
6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine
CID 133338043
N-(3-ethylsulfinylcyclohexyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 133338190
6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile
CID 125130965
N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine
CID 133403997
N-(3-ethylsulfinylcyclohexyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133337979
2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137269920
N-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133338091
N-[(1R,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-methyl-5-nitropyridin-2-amine
CID 129471050
N-(3-ethylsulfinylcyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 154805168
N-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133338051

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine?
The IUPAC name of N-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine (CID 136530984) is N-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine is CCS(=O)C1CCCC(Nc2cc(C)nc(OC)n2)C1.
What is the InChIKey of N-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine?
The InChIKey is FABNJYLTWYJZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-20(18)12-7-5-6-11(9-12)16-13-8-10(2)15-14(17-13)19-3/h8,11-12H,4-7,9H2,1-3H3,(H,15,16,17).
What are the key properties of N-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine?
N-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine has a molecular weight of 297.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine is sourced from PubChem (CID 136530984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).