N-(2-ethoxyphenyl)-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide

C21H24N4O3S — CID 6615571

IUPACN-(2-ethoxyphenyl)-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCOc1ccccc1NC(=O)c1sc2nc(C)nc(N3CCOCC3)c2c1C
InChIInChI=1S/C21H24N4O3S/c1-4-28-16-8-6-5-7-15(16)24-20(26)18-13(2)17-19(25-9-11-27-12-10-25)22-14(3)23-21(17)29-18/h5-8H,4,9-12H2,1-3H3,(H,24,26)
InChIKeyARZUSWIEIZCCJP-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.80
Rot. Bonds5

About N-(2-ethoxyphenyl)-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide

N-(2-ethoxyphenyl)-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 6615571) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID6615571
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-(2-ethoxyphenyl)-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCOc1ccccc1NC(=O)c1sc2nc(C)nc(N3CCOCC3)c2c1C
InChIInChI=1S/C21H24N4O3S/c1-4-28-16-8-6-5-7-15(16)24-20(26)18-13(2)17-19(25-9-11-27-12-10-25)22-14(3)23-21(17)29-18/h5-8H,4,9-12H2,1-3H3,(H,24,26)
InChIKeyARZUSWIEIZCCJP-UHFFFAOYSA-N
XLogP3.80
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide (CID 6615571) is N-(2-ethoxyphenyl)-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide is CCOc1ccccc1NC(=O)c1sc2nc(C)nc(N3CCOCC3)c2c1C.
What is the InChIKey of N-(2-ethoxyphenyl)-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ARZUSWIEIZCCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-4-28-16-8-6-5-7-15(16)24-20(26)18-13(2)17-19(25-9-11-27-12-10-25)22-14(3)23-21(17)29-18/h5-8H,4,9-12H2,1-3H3,(H,24,26).
What are the key properties of N-(2-ethoxyphenyl)-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide?
N-(2-ethoxyphenyl)-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 6615571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).