N'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine

C15H23ClN4S — CID 103321374

IUPACN'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1nc(Cl)nc2sc(CC)cc12
InChIInChI=1S/C15H23ClN4S/c1-5-7-20(9-8-19(3)4)13-12-10-11(6-2)21-14(12)18-15(16)17-13/h10H,5-9H2,1-4H3
InChIKeySDEHYOUFGWCXIW-UHFFFAOYSA-N
MW326.90 g/mol
LogP3.69
Rot. Bonds7

About N'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 103321374) has the molecular formula C15H23ClN4S and a molecular weight of 326.90 g/mol. Its IUPAC name is N'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID103321374
Molecular FormulaC15H23ClN4S
Molecular Weight326.90 g/mol
Exact Mass326.13
IUPAC NameN'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1nc(Cl)nc2sc(CC)cc12
InChIInChI=1S/C15H23ClN4S/c1-5-7-20(9-8-19(3)4)13-12-10-11(6-2)21-14(12)18-15(16)17-13/h10H,5-9H2,1-4H3
InChIKeySDEHYOUFGWCXIW-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.90
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-2-hydrazinyl-N,N-dipropylthieno[2,3-d]pyrimidin-4-amine
CID 103335029
2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine
CID 169436107
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol
CID 103325630
4-chloro-6-ethyl-N,N-dipropylthieno[2,3-d]pyrimidin-2-amine
CID 82309139
2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol
CID 103325635
2-chloro-6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321377
1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 103321162
2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321396
2-chloro-6-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321245
2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320635
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 103321134
4-N-[2-(dimethylamino)ethyl]-2-N,6-diethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327863

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 103321374) is N'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)c1nc(Cl)nc2sc(CC)cc12.
What is the InChIKey of N'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is SDEHYOUFGWCXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4S/c1-5-7-20(9-8-19(3)4)13-12-10-11(6-2)21-14(12)18-15(16)17-13/h10H,5-9H2,1-4H3.
What are the key properties of N'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 326.90 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 103321374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).