4-N-[3-(dimethylamino)propyl]-2-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine

C14H23N5OS — CID 46948133

IUPAC4-N-[3-(dimethylamino)propyl]-2-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(NCCCN(C)C)c2sccc2n1
InChIInChI=1S/C14H23N5OS/c1-19(2)8-4-6-15-13-12-11(5-10-21-12)17-14(18-13)16-7-9-20-3/h5,10H,4,6-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyZGNBTKKSXAKQGC-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.11
Rot. Bonds9

About 4-N-[3-(dimethylamino)propyl]-2-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine

4-N-[3-(dimethylamino)propyl]-2-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 46948133) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-2-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-2-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID46948133
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name4-N-[3-(dimethylamino)propyl]-2-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(NCCCN(C)C)c2sccc2n1
InChIInChI=1S/C14H23N5OS/c1-19(2)8-4-6-15-13-12-11(5-10-21-12)17-14(18-13)16-7-9-20-3/h5,10H,4,6-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyZGNBTKKSXAKQGC-UHFFFAOYSA-N
XLogP2.11
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 46948133) is 4-N-[3-(dimethylamino)propyl]-2-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-2-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-2-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine is COCCNc1nc(NCCCN(C)C)c2sccc2n1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-2-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is ZGNBTKKSXAKQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-19(2)8-4-6-15-13-12-11(5-10-21-12)17-14(18-13)16-7-9-20-3/h5,10H,4,6-9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-2-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
4-N-[3-(dimethylamino)propyl]-2-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 309.44 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-2-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 46948133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).