2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine

C16H24N4S — CID 62182349

IUPAC2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN2CCCCCCC2)nc2sccc12
InChIInChI=1S/C16H24N4S/c1-2-17-15-13-8-11-21-16(13)19-14(18-15)12-20-9-6-4-3-5-7-10-20/h8,11H,2-7,9-10,12H2,1H3,(H,17,18,19)
InChIKeyBIMRONPLHITOSS-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.89
Rot. Bonds4

About 2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine

2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62182349) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62182349
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN2CCCCCCC2)nc2sccc12
InChIInChI=1S/C16H24N4S/c1-2-17-15-13-8-11-21-16(13)19-14(18-15)12-20-9-6-4-3-5-7-10-20/h8,11H,2-7,9-10,12H2,1H3,(H,17,18,19)
InChIKeyBIMRONPLHITOSS-UHFFFAOYSA-N
XLogP3.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(azocan-1-ylmethyl)-N-ethylthieno[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

2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184614
N-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178577
N-ethyl-2-(1,4-thiazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62207945
N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178585
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673897
N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184565
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol
CID 55131369
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 104960510
N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62208153
N-methyl-2-(1,4-oxazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62974588
2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62193818
N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine (CID 62182349) is 2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine is CCNc1nc(CN2CCCCCCC2)nc2sccc12.
What is the InChIKey of 2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BIMRONPLHITOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-2-17-15-13-8-11-21-16(13)19-14(18-15)12-20-9-6-4-3-5-7-10-20/h8,11H,2-7,9-10,12H2,1H3,(H,17,18,19).
What are the key properties of 2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine?
2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 304.46 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62182349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).