N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine

C13H21N3OS — CID 133403997

IUPACN-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine
SMILESCCS(=O)C1CCCC(Nc2ncc(C)cn2)C1
InChIInChI=1S/C13H21N3OS/c1-3-18(17)12-6-4-5-11(7-12)16-13-14-8-10(2)9-15-13/h8-9,11-12H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyVEDYOZAVNFYXEH-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.28
Rot. Bonds4

About N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine

N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine (PubChem CID 133403997) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine
PubChem CID133403997
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine
SMILESCCS(=O)C1CCCC(Nc2ncc(C)cn2)C1
InChIInChI=1S/C13H21N3OS/c1-3-18(17)12-6-4-5-11(7-12)16-13-14-8-10(2)9-15-13/h8-9,11-12H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyVEDYOZAVNFYXEH-UHFFFAOYSA-N
XLogP2.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-methyl-5-nitropyridin-2-amine
CID 129471050
N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine
CID 133338221
N-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine
CID 136530984
N-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133338091
4-bromo-5-[(3-ethylsulfinylcyclohexyl)amino]-2-methylpyridazin-3-one
CID 133338214
2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine
CID 133336298
N-(3-ethylsulfinylcyclohexyl)-1,3-dimethyl-4-nitropyrazol-5-amine
CID 122147206
6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile
CID 125130965
6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine
CID 133338043
ethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate
CID 133338071
2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137269920
3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 66030583

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine?
The IUPAC name of N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine (CID 133403997) is N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine?
The canonical SMILES for N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine is CCS(=O)C1CCCC(Nc2ncc(C)cn2)C1.
What is the InChIKey of N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine?
The InChIKey is VEDYOZAVNFYXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-18(17)12-6-4-5-11(7-12)16-13-14-8-10(2)9-15-13/h8-9,11-12H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine?
N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine has a molecular weight of 267.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 133403997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).