N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N'-methylpentane-1,5-diamine

C14H22N4S — CID 107206962

IUPACN'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N'-methylpentane-1,5-diamine
SMILESCCc1cc2c(N(C)CCCCCN)ncnc2s1
InChIInChI=1S/C14H22N4S/c1-3-11-9-12-13(16-10-17-14(12)19-11)18(2)8-6-4-5-7-15/h9-10H,3-8,15H2,1-2H3
InChIKeyWMVXLYMZPAJUNN-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.82
Rot. Bonds7

About N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N'-methylpentane-1,5-diamine

N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N'-methylpentane-1,5-diamine (PubChem CID 107206962) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N'-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N'-methylpentane-1,5-diamine
PubChem CID107206962
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC NameN'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N'-methylpentane-1,5-diamine
SMILESCCc1cc2c(N(C)CCCCCN)ncnc2s1
InChIInChI=1S/C14H22N4S/c1-3-11-9-12-13(16-10-17-14(12)19-11)18(2)8-6-4-5-7-15/h9-10H,3-8,15H2,1-2H3
InChIKeyWMVXLYMZPAJUNN-UHFFFAOYSA-N
XLogP2.82
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N'-methylpentane-1,5-diamine 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'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N'-methylpentane-1,5-diamine?
The IUPAC name of N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N'-methylpentane-1,5-diamine (CID 107206962) is N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N'-methylpentane-1,5-diamine.
What is the SMILES notation for N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N'-methylpentane-1,5-diamine?
The canonical SMILES for N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N'-methylpentane-1,5-diamine is CCc1cc2c(N(C)CCCCCN)ncnc2s1.
What is the InChIKey of N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N'-methylpentane-1,5-diamine?
The InChIKey is WMVXLYMZPAJUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-3-11-9-12-13(16-10-17-14(12)19-11)18(2)8-6-4-5-7-15/h9-10H,3-8,15H2,1-2H3.
What are the key properties of N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N'-methylpentane-1,5-diamine?
N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N'-methylpentane-1,5-diamine has a molecular weight of 278.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N'-methylpentane-1,5-diamine is sourced from PubChem (CID 107206962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).