N-(4-chlorothieno[2,3-d]pyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine

C13H19ClN4S — CID 82309309

IUPACN-(4-chlorothieno[2,3-d]pyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C13H19ClN4S/c1-3-18(4-2)8-5-7-15-13-16-11(14)10-6-9-19-12(10)17-13/h6,9H,3-5,7-8H2,1-2H3,(H,15,16,17)
InChIKeyJELJNGFXTYMLGA-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.49
Rot. Bonds7

About N-(4-chlorothieno[2,3-d]pyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine

N-(4-chlorothieno[2,3-d]pyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 82309309) has the molecular formula C13H19ClN4S and a molecular weight of 298.84 g/mol. Its IUPAC name is N-(4-chlorothieno[2,3-d]pyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(4-chlorothieno[2,3-d]pyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine
PubChem CID82309309
Molecular FormulaC13H19ClN4S
Molecular Weight298.84 g/mol
Exact Mass298.10
IUPAC NameN-(4-chlorothieno[2,3-d]pyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C13H19ClN4S/c1-3-18(4-2)8-5-7-15-13-16-11(14)10-6-9-19-12(10)17-13/h6,9H,3-5,7-8H2,1-2H3,(H,15,16,17)
InChIKeyJELJNGFXTYMLGA-UHFFFAOYSA-N
XLogP3.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine
CID 504351
6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 107855237
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103329993
4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309306
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
4-chloro-2-(2-ethoxypropan-2-yl)thieno[2,3-d]pyrimidine
CID 116701236
4-methoxy-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331399
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylbutan-1-amine
CID 62188469
4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325749
4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330872

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorothieno[2,3-d]pyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(4-chlorothieno[2,3-d]pyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine (CID 82309309) is N-(4-chlorothieno[2,3-d]pyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(4-chlorothieno[2,3-d]pyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(4-chlorothieno[2,3-d]pyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNc1nc(Cl)c2ccsc2n1.
What is the InChIKey of N-(4-chlorothieno[2,3-d]pyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is JELJNGFXTYMLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4S/c1-3-18(4-2)8-5-7-15-13-16-11(14)10-6-9-19-12(10)17-13/h6,9H,3-5,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-(4-chlorothieno[2,3-d]pyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine?
N-(4-chlorothieno[2,3-d]pyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 298.84 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorothieno[2,3-d]pyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 82309309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).