N,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanamine

C17H21N3S — CID 943582

IUPACN,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanamine
SMILESCN(C)CCSc1nc(-c2ccccc2)nc2c1CCC2
InChIInChI=1S/C17H21N3S/c1-20(2)11-12-21-17-14-9-6-10-15(14)18-16(19-17)13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3
InChIKeyIQYRIKYSWUXORO-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.29
Rot. Bonds5

About N,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanamine

N,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanamine (PubChem CID 943582) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanamine
PubChem CID943582
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanamine
SMILESCN(C)CCSc1nc(-c2ccccc2)nc2c1CCC2
InChIInChI=1S/C17H21N3S/c1-20(2)11-12-21-17-14-9-6-10-15(14)18-16(19-17)13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3
InChIKeyIQYRIKYSWUXORO-UHFFFAOYSA-N
XLogP3.29
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanamine (CID 943582) is N,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanamine is CN(C)CCSc1nc(-c2ccccc2)nc2c1CCC2.
What is the InChIKey of N,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanamine?
The InChIKey is IQYRIKYSWUXORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-20(2)11-12-21-17-14-9-6-10-15(14)18-16(19-17)13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanamine?
N,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanamine has a molecular weight of 299.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanamine is sourced from PubChem (CID 943582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).