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

C13H20N4S — CID 54906628

IUPACN-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
SMILESCCNCCCNc1ncnc2sc(CC)cc12
InChIInChI=1S/C13H20N4S/c1-3-10-8-11-12(15-7-5-6-14-4-2)16-9-17-13(11)18-10/h8-9,14H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyLZUCFQLWVKAWOQ-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.67
Rot. Bonds7

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

N-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine (PubChem CID 54906628) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
PubChem CID54906628
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
SMILESCCNCCCNc1ncnc2sc(CC)cc12
InChIInChI=1S/C13H20N4S/c1-3-10-8-11-12(15-7-5-6-14-4-2)16-9-17-13(11)18-10/h8-9,14H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyLZUCFQLWVKAWOQ-UHFFFAOYSA-N
XLogP2.67
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorobutyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 65028734
6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 2076558
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 6957125
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 650309
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061014
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 31539204
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)propanamide
CID 39082289
6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 2837436
6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133332090
N-[(3-chlorocyclopentyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 106123831
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(3-methoxypropyl)acetamide
CID 39084926
N-(4-bromophenyl)-3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 52687743

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine (CID 54906628) is N-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine is CCNCCCNc1ncnc2sc(CC)cc12.
What is the InChIKey of N-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is LZUCFQLWVKAWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-3-10-8-11-12(15-7-5-6-14-4-2)16-9-17-13(11)18-10/h8-9,14H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine?
N-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 264.40 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 54906628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).