ethyl 4-(2-hydroxypropylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

C14H19N3O3S — CID 4963425

IUPACethyl 4-(2-hydroxypropylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(C)nc(NCC(C)O)c2c1C
InChIInChI=1S/C14H19N3O3S/c1-5-20-14(19)11-8(3)10-12(15-6-7(2)18)16-9(4)17-13(10)21-11/h7,18H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyDZIDMDZSOHOFBC-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.28
Rot. Bonds5

About ethyl 4-(2-hydroxypropylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

ethyl 4-(2-hydroxypropylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 4963425) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is ethyl 4-(2-hydroxypropylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-hydroxypropylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID4963425
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Nameethyl 4-(2-hydroxypropylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(C)nc(NCC(C)O)c2c1C
InChIInChI=1S/C14H19N3O3S/c1-5-20-14(19)11-8(3)10-12(15-6-7(2)18)16-9(4)17-13(10)21-11/h7,18H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyDZIDMDZSOHOFBC-UHFFFAOYSA-N
XLogP2.28
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-hydroxypropylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-(2-hydroxypropylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (CID 4963425) is ethyl 4-(2-hydroxypropylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-(2-hydroxypropylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-(2-hydroxypropylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2nc(C)nc(NCC(C)O)c2c1C.
What is the InChIKey of ethyl 4-(2-hydroxypropylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is DZIDMDZSOHOFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-5-20-14(19)11-8(3)10-12(15-6-7(2)18)16-9(4)17-13(10)21-11/h7,18H,5-6H2,1-4H3,(H,15,16,17).
What are the key properties of ethyl 4-(2-hydroxypropylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 4-(2-hydroxypropylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 309.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-hydroxypropylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 4963425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).