4-N-[3-(diethylamino)propyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

C15H25N5S — CID 103324349

IUPAC4-N-[3-(diethylamino)propyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCN(CC)CCCNc1nc(NC)nc2sc(C)cc12
InChIInChI=1S/C15H25N5S/c1-5-20(6-2)9-7-8-17-13-12-10-11(3)21-14(12)19-15(16-4)18-13/h10H,5-9H2,1-4H3,(H2,16,17,18,19)
InChIKeyFQZMNNFAPSLUFS-UHFFFAOYSA-N
MW307.47 g/mol
LogP3.19
Rot. Bonds8

About 4-N-[3-(diethylamino)propyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-[3-(diethylamino)propyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324349) has the molecular formula C15H25N5S and a molecular weight of 307.47 g/mol. Its IUPAC name is 4-N-[3-(diethylamino)propyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(diethylamino)propyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324349
Molecular FormulaC15H25N5S
Molecular Weight307.47 g/mol
Exact Mass307.18
IUPAC Name4-N-[3-(diethylamino)propyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCN(CC)CCCNc1nc(NC)nc2sc(C)cc12
InChIInChI=1S/C15H25N5S/c1-5-20(6-2)9-7-8-17-13-12-10-11(3)21-14(12)19-15(16-4)18-13/h10H,5-9H2,1-4H3,(H2,16,17,18,19)
InChIKeyFQZMNNFAPSLUFS-UHFFFAOYSA-N
XLogP3.19
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 107324255
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324486
2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine
CID 103335234
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 103324005
4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324085
N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103333854
2-N,6-dimethyl-4-N-(3-methylsulfinylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330232
2-N,6-dimethyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324125
2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol
CID 106311471
2-N,6-dimethyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106412071
2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol
CID 103328768

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(diethylamino)propyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(diethylamino)propyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103324349) is 4-N-[3-(diethylamino)propyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(diethylamino)propyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(diethylamino)propyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is CCN(CC)CCCNc1nc(NC)nc2sc(C)cc12.
What is the InChIKey of 4-N-[3-(diethylamino)propyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is FQZMNNFAPSLUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5S/c1-5-20(6-2)9-7-8-17-13-12-10-11(3)21-14(12)19-15(16-4)18-13/h10H,5-9H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 4-N-[3-(diethylamino)propyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[3-(diethylamino)propyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 307.47 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(diethylamino)propyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).