6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine

C13H22N4OS — CID 80817326

IUPAC6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCCC2OC)nc(SC)n1
InChIInChI=1S/C13H22N4OS/c1-4-14-11-8-12(17-13(16-11)19-3)15-9-6-5-7-10(9)18-2/h8-10H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyVMMGDLGURQULPG-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.61
Rot. Bonds6

About 6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine

6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80817326) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80817326
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCCC2OC)nc(SC)n1
InChIInChI=1S/C13H22N4OS/c1-4-14-11-8-12(17-13(16-11)19-3)15-9-6-5-7-10(9)18-2/h8-10H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyVMMGDLGURQULPG-UHFFFAOYSA-N
XLogP2.61
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-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

4-N-(2-methoxycyclopentyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80817483
6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771675
4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826222
4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80840347
2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826651
4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine
CID 80817558
6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80858375
4-N-(3,4-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80841556
N-(2-methoxycyclopentyl)-2,6-dimethylpyrimidin-4-amine
CID 62086991
N-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine
CID 80860868
[2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 106367984
6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80809346

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine (CID 80817326) is 6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine is CCNc1cc(NC2CCCC2OC)nc(SC)n1.
What is the InChIKey of 6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is VMMGDLGURQULPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-4-14-11-8-12(17-13(16-11)19-3)15-9-6-5-7-10(9)18-2/h8-10H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 282.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80817326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).