N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane

C22H32N4S — CID 90925941

IUPACN-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane
SMILESCC.CC.c1ccc(CN2CCC(Nc3ncnc4sccc34)CC2)cc1
InChIInChI=1S/C18H20N4S.2C2H6/c1-2-4-14(5-3-1)12-22-9-6-15(7-10-22)21-17-16-8-11-23-18(16)20-13-19-17;2*1-2/h1-5,8,11,13,15H,6-7,9-10,12H2,(H,19,20,21);2*1-2H3
InChIKeyKDCYHLNWIAEPQV-UHFFFAOYSA-N
MW384.59 g/mol
LogP5.82
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane

N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane (PubChem CID 90925941) has the molecular formula C22H32N4S and a molecular weight of 384.59 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane
PubChem CID90925941
Molecular FormulaC22H32N4S
Molecular Weight384.59 g/mol
Exact Mass384.23
IUPAC NameN-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane
SMILESCC.CC.c1ccc(CN2CCC(Nc3ncnc4sccc34)CC2)cc1
InChIInChI=1S/C18H20N4S.2C2H6/c1-2-4-14(5-3-1)12-22-9-6-15(7-10-22)21-17-16-8-11-23-18(16)20-13-19-17;2*1-2/h1-5,8,11,13,15H,6-7,9-10,12H2,(H,19,20,21);2*1-2H3
InChIKeyKDCYHLNWIAEPQV-UHFFFAOYSA-N
XLogP5.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.59
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane 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-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane
CID 91532309
N-cyclobutylthieno[2,3-d]pyrimidin-4-amine
CID 13038304
N-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 985393
N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine
CID 162366578
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine
CID 2808856
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133336179
N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 17430718
N-(1-oxothian-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 104576554
phenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 125444803
N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133399288
N-(1-benzylpiperidin-4-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648132
N-[(3R)-1-benzylpyrrolidin-3-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 9109166

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane?
The IUPAC name of N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane (CID 90925941) is N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane is CC.CC.c1ccc(CN2CCC(Nc3ncnc4sccc34)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane?
The InChIKey is KDCYHLNWIAEPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S.2C2H6/c1-2-4-14(5-3-1)12-22-9-6-15(7-10-22)21-17-16-8-11-23-18(16)20-13-19-17;2*1-2/h1-5,8,11,13,15H,6-7,9-10,12H2,(H,19,20,21);2*1-2H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane?
N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane has a molecular weight of 384.59 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane is sourced from PubChem (CID 90925941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).