6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

C13H20N4OS — CID 103330779

IUPAC6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCC(C)OC)nc(NC)nc2s1
InChIInChI=1S/C13H20N4OS/c1-5-9-6-10-11(15-7-8(2)18-4)16-13(14-3)17-12(10)19-9/h6,8H,5,7H2,1-4H3,(H2,14,15,16,17)
InChIKeyBCKVQWGWJAYJGU-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.74
Rot. Bonds6

About 6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330779) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330779
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCC(C)OC)nc(NC)nc2s1
InChIInChI=1S/C13H20N4OS/c1-5-9-6-10-11(15-7-8(2)18-4)16-13(14-3)17-12(10)19-9/h6,8H,5,7H2,1-4H3,(H2,14,15,16,17)
InChIKeyBCKVQWGWJAYJGU-UHFFFAOYSA-N
XLogP2.74
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322700
6-ethyl-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328043
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044
3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 103329093
6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326772
ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
CID 103325279
6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327900
6-ethyl-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326140
6-ethyl-4-N-(1-methoxypentan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328231
6-ethyl-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327929
4-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 103329084

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103330779) is 6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(NCC(C)OC)nc(NC)nc2s1.
What is the InChIKey of 6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is BCKVQWGWJAYJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-5-9-6-10-11(15-7-8(2)18-4)16-13(14-3)17-12(10)19-9/h6,8H,5,7H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 280.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).