4-N-(2-ethylsulfanylcyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine

C13H22N4S — CID 114122169

IUPAC4-N-(2-ethylsulfanylcyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCSC1CCCC1Nc1ncnc(NC)c1C
InChIInChI=1S/C13H22N4S/c1-4-18-11-7-5-6-10(11)17-13-9(2)12(14-3)15-8-16-13/h8,10-11H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyWRPJLUUWFKGIRU-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.91
Rot. Bonds5

About 4-N-(2-ethylsulfanylcyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-(2-ethylsulfanylcyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 114122169) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-N-(2-ethylsulfanylcyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethylsulfanylcyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID114122169
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name4-N-(2-ethylsulfanylcyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCSC1CCCC1Nc1ncnc(NC)c1C
InChIInChI=1S/C13H22N4S/c1-4-18-11-7-5-6-10(11)17-13-9(2)12(14-3)15-8-16-13/h8,10-11H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyWRPJLUUWFKGIRU-UHFFFAOYSA-N
XLogP2.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-N-(2-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-4-amine
CID 103880316
6-chloro-N-(2-ethylsulfanylcyclopentyl)-4,5-dimethylpyridazin-3-amine
CID 114121957
5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 114122167
N-(2-ethylsulfanylcyclopentyl)-5-methylpyrimidin-2-amine
CID 103858190
N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
CID 103725083
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80804529
4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80783503
5-chloro-N-(2-ethylsulfanylcyclopentyl)-2-methoxypyrimidin-4-amine
CID 103804863
4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 103725102
6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile
CID 96525974
3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine
CID 114121308
6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80771823

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylsulfanylcyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethylsulfanylcyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine (CID 114122169) is 4-N-(2-ethylsulfanylcyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethylsulfanylcyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethylsulfanylcyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine is CCSC1CCCC1Nc1ncnc(NC)c1C.
What is the InChIKey of 4-N-(2-ethylsulfanylcyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is WRPJLUUWFKGIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-4-18-11-7-5-6-10(11)17-13-9(2)12(14-3)15-8-16-13/h8,10-11H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-N-(2-ethylsulfanylcyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-(2-ethylsulfanylcyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 266.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylsulfanylcyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 114122169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).