4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine

C14H22N4OS — CID 103332122

IUPAC4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(OCCCN(C)C)nc(NC)nc2s1
InChIInChI=1S/C14H22N4OS/c1-5-10-9-11-12(19-8-6-7-18(3)4)16-14(15-2)17-13(11)20-10/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyKESQUDZAYPYIMA-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.63
Rot. Bonds7

About 4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine

4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103332122) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103332122
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(OCCCN(C)C)nc(NC)nc2s1
InChIInChI=1S/C14H22N4OS/c1-5-10-9-11-12(19-8-6-7-18(3)4)16-14(15-2)17-13(11)20-10/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyKESQUDZAYPYIMA-UHFFFAOYSA-N
XLogP2.63
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-N-methyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333323
6-ethyl-N-methyl-4-(2-thiophen-2-ylethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332286
[6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336025
6-ethyl-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine
CID 106598650
6-ethyl-4-(furan-2-ylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331380
6-ethyl-2-N,4-N-dimethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324672
2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol
CID 103324497
4-[3-(dimethylamino)propoxy]-N-methylquinazolin-2-amine
CID 80870725
4-N-cyclopropyl-6-ethyl-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324556
6-ethyl-4-(1-ethylpyrazol-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333513
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxy-N,N-dimethylethanamine
CID 103336247

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine (CID 103332122) is 4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine is CCc1cc2c(OCCCN(C)C)nc(NC)nc2s1.
What is the InChIKey of 4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is KESQUDZAYPYIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-5-10-9-11-12(19-8-6-7-18(3)4)16-14(15-2)17-13(11)20-10/h9H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine?
4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 294.42 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103332122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).