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

C13H22N4S — CID 103725102

IUPAC4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCCSC1CCCC1Nc1ccnc(N(C)C)n1
InChIInChI=1S/C13H22N4S/c1-4-18-11-7-5-6-10(11)15-12-8-9-14-13(16-12)17(2)3/h8-11H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyDCFOZARHYRPUPT-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.63
Rot. Bonds5

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

4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 103725102) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID103725102
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCCSC1CCCC1Nc1ccnc(N(C)C)n1
InChIInChI=1S/C13H22N4S/c1-4-18-11-7-5-6-10(11)15-12-8-9-14-13(16-12)17(2)3/h8-11H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyDCFOZARHYRPUPT-UHFFFAOYSA-N
XLogP2.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine 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

2-N-ethyl-6-N-(2-ethylsulfanylcyclopentyl)pyridine-2,6-diamine
CID 114122162
N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
CID 103725083
4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine
CID 114122138
2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine
CID 103804841
6-[(2-ethylsulfanylcyclopentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103804893
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64828902
N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine
CID 103804882
6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile
CID 96525974
6-ethoxy-N-(2-ethylsulfanylcyclopentyl)pyrazin-2-amine
CID 133378493
methyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate
CID 133492487
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64828705
6-ethyl-N-(2-ethylsulfanylcyclopentyl)-2-pyridin-4-ylpyrimidin-4-amine
CID 133357230

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 103725102) is 4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine is CCSC1CCCC1Nc1ccnc(N(C)C)n1.
What is the InChIKey of 4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is DCFOZARHYRPUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-4-18-11-7-5-6-10(11)15-12-8-9-14-13(16-12)17(2)3/h8-11H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 266.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 103725102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).