5-amino-N-ethyl-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide

C17H18N4O2S2 — CID 11516312

IUPAC5-amino-N-ethyl-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1sc2nc(SC)nc(-c3cccc(OC)c3)c2c1N
InChIInChI=1S/C17H18N4O2S2/c1-4-19-15(22)14-12(18)11-13(9-6-5-7-10(8-9)23-2)20-17(24-3)21-16(11)25-14/h5-8H,4,18H2,1-3H3,(H,19,22)
InChIKeyFRJKVUWQBIDDCS-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.42
Rot. Bonds5

About 5-amino-N-ethyl-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-N-ethyl-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 11516312) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-amino-N-ethyl-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID11516312
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC Name5-amino-N-ethyl-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1sc2nc(SC)nc(-c3cccc(OC)c3)c2c1N
InChIInChI=1S/C17H18N4O2S2/c1-4-19-15(22)14-12(18)11-13(9-6-5-7-10(8-9)23-2)20-17(24-3)21-16(11)25-14/h5-8H,4,18H2,1-3H3,(H,19,22)
InChIKeyFRJKVUWQBIDDCS-UHFFFAOYSA-N
XLogP3.42
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-ethyl-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide (CID 11516312) is 5-amino-N-ethyl-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide is CCNC(=O)c1sc2nc(SC)nc(-c3cccc(OC)c3)c2c1N.
What is the InChIKey of 5-amino-N-ethyl-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FRJKVUWQBIDDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-4-19-15(22)14-12(18)11-13(9-6-5-7-10(8-9)23-2)20-17(24-3)21-16(11)25-14/h5-8H,4,18H2,1-3H3,(H,19,22).
What are the key properties of 5-amino-N-ethyl-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-N-ethyl-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 11516312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).