6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine

C13H20N6S — CID 103329523

IUPAC6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NN3CCN(C)CC3)nc(N)nc2s1
InChIInChI=1S/C13H20N6S/c1-3-9-8-10-11(15-13(14)16-12(10)20-9)17-19-6-4-18(2)5-7-19/h8H,3-7H2,1-2H3,(H3,14,15,16,17)
InChIKeyKLQASNOISPLRFZ-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.41
Rot. Bonds3

About 6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine

6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103329523) has the molecular formula C13H20N6S and a molecular weight of 292.41 g/mol. Its IUPAC name is 6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103329523
Molecular FormulaC13H20N6S
Molecular Weight292.41 g/mol
Exact Mass292.15
IUPAC Name6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NN3CCN(C)CC3)nc(N)nc2s1
InChIInChI=1S/C13H20N6S/c1-3-9-8-10-11(15-13(14)16-12(10)20-9)17-19-6-4-18(2)5-7-19/h8H,3-7H2,1-2H3,(H3,14,15,16,17)
InChIKeyKLQASNOISPLRFZ-UHFFFAOYSA-N
XLogP1.41
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324772
6-ethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323837
4-N-cyclobutyl-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327219
1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103324846
6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329267
4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466671
4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329333
6-ethyl-4-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324441
4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 103329690
6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328125
6-ethyl-4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327914
6-ethyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330885

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103329523) is 6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(NN3CCN(C)CC3)nc(N)nc2s1.
What is the InChIKey of 6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is KLQASNOISPLRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6S/c1-3-9-8-10-11(15-13(14)16-12(10)20-9)17-19-6-4-18(2)5-7-19/h8H,3-7H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 292.41 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103329523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).