N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine

C18H20N4S — CID 36725383

IUPACN-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc([C@H](CN2CCCC2)Nc2ncnc3sccc23)cc1
InChIInChI=1S/C18H20N4S/c1-2-6-14(7-3-1)16(12-22-9-4-5-10-22)21-17-15-8-11-23-18(15)20-13-19-17/h1-3,6-8,11,13,16H,4-5,9-10,12H2,(H,19,20,21)/t16-/m0/s1
InChIKeyVBQHWKWTNZGUER-INIZCTEOSA-N
MW324.45 g/mol
LogP3.94
Rot. Bonds5

About N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine

N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 36725383) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID36725383
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC NameN-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc([C@H](CN2CCCC2)Nc2ncnc3sccc23)cc1
InChIInChI=1S/C18H20N4S/c1-2-6-14(7-3-1)16(12-22-9-4-5-10-22)21-17-15-8-11-23-18(15)20-13-19-17/h1-3,6-8,11,13,16H,4-5,9-10,12H2,(H,19,20,21)/t16-/m0/s1
InChIKeyVBQHWKWTNZGUER-INIZCTEOSA-N
XLogP3.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-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-[(2R)-2-methyl-3-piperidin-1-ylpropyl]thieno[2,3-d]pyrimidin-4-amine
CID 51891886
N-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 41332400
N-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 9450827
N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 17430718
(1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol
CID 95318735
(2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 94546891
1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 25316013
N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 62402452
N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 113222136
N-methyl-1-phenyl-2-thieno[2,3-d]pyrimidin-4-ylethanamine
CID 55162208
2,2-diphenyl-N-thieno[2,3-d]pyrimidin-4-ylacetamide
CID 7615397
5-(3,4-dimethylphenyl)-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 166381272

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine (CID 36725383) is N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine is c1ccc([C@H](CN2CCCC2)Nc2ncnc3sccc23)cc1.
What is the InChIKey of N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VBQHWKWTNZGUER-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N4S/c1-2-6-14(7-3-1)16(12-22-9-4-5-10-22)21-17-15-8-11-23-18(15)20-13-19-17/h1-3,6-8,11,13,16H,4-5,9-10,12H2,(H,19,20,21)/t16-/m0/s1.
What are the key properties of N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 324.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 36725383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).