N-(2-ethylsulfanylethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

C12H18N4S — CID 70759489

IUPACN-(2-ethylsulfanylethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCSCCNc1cc(C)nc2cc(C)nn12
InChIInChI=1S/C12H18N4S/c1-4-17-6-5-13-11-7-9(2)14-12-8-10(3)15-16(11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyMWGMUXZHZHWWHU-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.51
Rot. Bonds5

About N-(2-ethylsulfanylethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

N-(2-ethylsulfanylethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70759489) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70759489
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-(2-ethylsulfanylethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCSCCNc1cc(C)nc2cc(C)nn12
InChIInChI=1S/C12H18N4S/c1-4-17-6-5-13-11-7-9(2)14-12-8-10(3)15-16(11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyMWGMUXZHZHWWHU-UHFFFAOYSA-N
XLogP2.51
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-ethylsulfanylethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-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'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 18406994
4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide
CID 70717745
N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56913217
2,5-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56892306
2,5-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70788936
2,5-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70715755
N'-(5-methyl-2-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine
CID 82270760
N-(3-methoxypropyl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56900581
2,5-dimethyl-N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95872610
2,5-dimethyl-N-[1-(4-methyl-2-pyridinyl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56898576
5-methyl-2-(4-methylphenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3227937
N'-[2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 82270620

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2-ethylsulfanylethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 70759489) is N-(2-ethylsulfanylethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2-ethylsulfanylethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is CCSCCNc1cc(C)nc2cc(C)nn12.
What is the InChIKey of N-(2-ethylsulfanylethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MWGMUXZHZHWWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-17-6-5-13-11-7-9(2)14-12-8-10(3)15-16(11)12/h7-8,13H,4-6H2,1-3H3.
What are the key properties of N-(2-ethylsulfanylethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(2-ethylsulfanylethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 250.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70759489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).