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

C14H22N4O2S — CID 103326772

IUPAC6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCCOCCOC)nc(NC)nc2s1
InChIInChI=1S/C14H22N4O2S/c1-4-10-9-11-12(16-5-6-20-8-7-19-3)17-14(15-2)18-13(11)21-10/h9H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyPQJCCKNVCLGCNW-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.37
Rot. Bonds9

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

6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103326772) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103326772
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCCOCCOC)nc(NC)nc2s1
InChIInChI=1S/C14H22N4O2S/c1-4-10-9-11-12(16-5-6-20-8-7-19-3)17-14(15-2)18-13(11)21-10/h9H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyPQJCCKNVCLGCNW-UHFFFAOYSA-N
XLogP2.37
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 103327253
6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330779
ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
CID 103325279
6-ethyl-4-N-(1-methoxypentan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328231
6-ethyl-4-(2-methoxyethylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334389
3-[2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311692
methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332518
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
2-chloro-6-ethyl-N-[2-(3-methylbutoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321341

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103326772) is 6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(NCCOCCOC)nc(NC)nc2s1.
What is the InChIKey of 6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is PQJCCKNVCLGCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-4-10-9-11-12(16-5-6-20-8-7-19-3)17-14(15-2)18-13(11)21-10/h9H,4-8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 310.42 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103326772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).