N-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine

C19H26N4OS — CID 133338091

IUPACN-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCS(=O)C1CCCC(Nc2nc(-c3ccncc3)nc(C)c2C)C1
InChIInChI=1S/C19H26N4OS/c1-4-25(24)17-7-5-6-16(12-17)22-18-13(2)14(3)21-19(23-18)15-8-10-20-11-9-15/h8-11,16-17H,4-7,12H2,1-3H3,(H,21,22,23)
InChIKeyKECHNTYDVSDWTJ-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.65
Rot. Bonds5

About N-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine

N-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 133338091) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID133338091
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCS(=O)C1CCCC(Nc2nc(-c3ccncc3)nc(C)c2C)C1
InChIInChI=1S/C19H26N4OS/c1-4-25(24)17-7-5-6-16(12-17)22-18-13(2)14(3)21-19(23-18)15-8-10-20-11-9-15/h8-11,16-17H,4-7,12H2,1-3H3,(H,21,22,23)
InChIKeyKECHNTYDVSDWTJ-UHFFFAOYSA-N
XLogP3.65
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylsulfinylcyclohexyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133337979
N-(3-ethylsulfinylcyclohexyl)-2-thiophen-3-ylquinazolin-4-amine
CID 133338088
N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine
CID 133403997
2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137269920
5-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 133406908
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133347901
N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine
CID 133338221
2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine
CID 133336298
N-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine
CID 136530984
N-[(1R,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-methyl-5-nitropyridin-2-amine
CID 129471050
5,6-dimethyl-2-pyridin-4-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine
CID 133439232
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133357134

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine (CID 133338091) is N-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine is CCS(=O)C1CCCC(Nc2nc(-c3ccncc3)nc(C)c2C)C1.
What is the InChIKey of N-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is KECHNTYDVSDWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-4-25(24)17-7-5-6-16(12-17)22-18-13(2)14(3)21-19(23-18)15-8-10-20-11-9-15/h8-11,16-17H,4-7,12H2,1-3H3,(H,21,22,23).
What are the key properties of N-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine?
N-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 358.51 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 133338091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).