5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine

C12H19ClN4S — CID 114124204

IUPAC5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCCSC1CCC(Nc2nc(NC)ncc2Cl)C1
InChIInChI=1S/C12H19ClN4S/c1-3-18-9-5-4-8(6-9)16-11-10(13)7-15-12(14-2)17-11/h7-9H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyVPLWCNPSAKDBEK-UHFFFAOYSA-N
MW286.83 g/mol
LogP3.26
Rot. Bonds5

About 5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine

5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 114124204) has the molecular formula C12H19ClN4S and a molecular weight of 286.83 g/mol. Its IUPAC name is 5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID114124204
Molecular FormulaC12H19ClN4S
Molecular Weight286.83 g/mol
Exact Mass286.10
IUPAC Name5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCCSC1CCC(Nc2nc(NC)ncc2Cl)C1
InChIInChI=1S/C12H19ClN4S/c1-3-18-9-5-4-8(6-9)16-11-10(13)7-15-12(14-2)17-11/h7-9H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyVPLWCNPSAKDBEK-UHFFFAOYSA-N
XLogP3.26
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103724876
5-bromo-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103704815
5-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80789758
5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80841109
N-(3-ethylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113245596
N-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
CID 103704805
3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 103888844
5-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 80841279
5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
CID 80772251
5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80841105
N-(3-ethylsulfanylcyclopentyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103704832
5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 80777437

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine (CID 114124204) is 5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine is CCSC1CCC(Nc2nc(NC)ncc2Cl)C1.
What is the InChIKey of 5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is VPLWCNPSAKDBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4S/c1-3-18-9-5-4-8(6-9)16-11-10(13)7-15-12(14-2)17-11/h7-9H,3-6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine?
5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 286.83 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 114124204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).