2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine

C16H27N3OS — CID 133336298

IUPAC2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine
SMILESCCS(=O)C1CCCC(Nc2ccnc(C(C)(C)C)n2)C1
InChIInChI=1S/C16H27N3OS/c1-5-21(20)13-8-6-7-12(11-13)18-14-9-10-17-15(19-14)16(2,3)4/h9-10,12-13H,5-8,11H2,1-4H3,(H,17,18,19)
InChIKeyJMYSAORBHQKHCQ-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.27
Rot. Bonds4

About 2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine

2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine (PubChem CID 133336298) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine
PubChem CID133336298
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine
SMILESCCS(=O)C1CCCC(Nc2ccnc(C(C)(C)C)n2)C1
InChIInChI=1S/C16H27N3OS/c1-5-21(20)13-8-6-7-12(11-13)18-14-9-10-17-15(19-14)16(2,3)4/h9-10,12-13H,5-8,11H2,1-4H3,(H,17,18,19)
InChIKeyJMYSAORBHQKHCQ-UHFFFAOYSA-N
XLogP3.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine
CID 133338221
6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile
CID 125130965
6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine
CID 133338043
N-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine
CID 136530984
N-(3-ethylsulfinylcyclohexyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133337979
N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine
CID 133403997
2-tert-butyl-N-(1-cyclopropylpiperidin-4-yl)pyrimidin-4-amine
CID 133333719
N-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133338091
2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137269920
N-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133338051
3-ethylsulfinyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]cyclohexan-1-amine
CID 167950992
cis-(1S,3R)-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 124829993

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine (CID 133336298) is 2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine is CCS(=O)C1CCCC(Nc2ccnc(C(C)(C)C)n2)C1.
What is the InChIKey of 2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine?
The InChIKey is JMYSAORBHQKHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-5-21(20)13-8-6-7-12(11-13)18-14-9-10-17-15(19-14)16(2,3)4/h9-10,12-13H,5-8,11H2,1-4H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine?
2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine has a molecular weight of 309.48 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 133336298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).