6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine

C13H14N4S2 — CID 103324377

IUPAC6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(NCCc3cccs3)nc(N)nc2s1
InChIInChI=1S/C13H14N4S2/c1-8-7-10-11(16-13(14)17-12(10)19-8)15-5-4-9-3-2-6-18-9/h2-3,6-7H,4-5H2,1H3,(H3,14,15,16,17)
InChIKeyWGIUSVGUMWBDFF-UHFFFAOYSA-N
MW290.42 g/mol
LogP3.30
Rot. Bonds4

About 6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine

6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324377) has the molecular formula C13H14N4S2 and a molecular weight of 290.42 g/mol. Its IUPAC name is 6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324377
Molecular FormulaC13H14N4S2
Molecular Weight290.42 g/mol
Exact Mass290.07
IUPAC Name6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(NCCc3cccs3)nc(N)nc2s1
InChIInChI=1S/C13H14N4S2/c1-8-7-10-11(16-13(14)17-12(10)19-8)15-5-4-9-3-2-6-18-9/h2-3,6-7H,4-5H2,1H3,(H3,14,15,16,17)
InChIKeyWGIUSVGUMWBDFF-UHFFFAOYSA-N
XLogP3.30
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320512
6-methyl-4-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325333
6-methyl-4-N-(2-thiophen-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325996
6-methyl-4-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325324
2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91965651
6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329359
4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326737
6-methyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330600
N-ethyl-6-methyl-4-(2-thiophen-2-ylethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332290
2-chloro-6-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 114043536
3,5-difluoro-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine
CID 114074049
3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179348

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103324377) is 6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine is Cc1cc2c(NCCc3cccs3)nc(N)nc2s1.
What is the InChIKey of 6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is WGIUSVGUMWBDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S2/c1-8-7-10-11(16-13(14)17-12(10)19-8)15-5-4-9-3-2-6-18-9/h2-3,6-7H,4-5H2,1H3,(H3,14,15,16,17).
What are the key properties of 6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 290.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).