6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

C12H18N4S — CID 103324044

IUPAC6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC)nc2sc(CC)cc12
InChIInChI=1S/C12H18N4S/c1-4-6-14-10-9-7-8(5-2)17-11(9)16-12(13-3)15-10/h7H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyYQJXJBFIXXHRLW-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.12
Rot. Bonds5

About 6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324044) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324044
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC)nc2sc(CC)cc12
InChIInChI=1S/C12H18N4S/c1-4-6-14-10-9-7-8(5-2)17-11(9)16-12(13-3)15-10/h7H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyYQJXJBFIXXHRLW-UHFFFAOYSA-N
XLogP3.12
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326772
3-[2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311692
6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330779
4-(2,2-dimethylhydrazinyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103329501
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-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328043
3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 103329093
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-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327929
ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
CID 103325279

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103324044) is 6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(NC)nc2sc(CC)cc12.
What is the InChIKey of 6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is YQJXJBFIXXHRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-6-14-10-9-7-8(5-2)17-11(9)16-12(13-3)15-10/h7H,4-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 250.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).