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

C17H18N4O3S2 — CID 11538360

IUPAC5-amino-N-(2-hydroxyethyl)-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(-c2nc(SC)nc3sc(C(=O)NCCO)c(N)c23)c1
InChIInChI=1S/C17H18N4O3S2/c1-24-10-5-3-4-9(8-10)13-11-12(18)14(15(23)19-6-7-22)26-16(11)21-17(20-13)25-2/h3-5,8,22H,6-7,18H2,1-2H3,(H,19,23)
InChIKeyKYMXUEHVSOENHN-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.39
Rot. Bonds6

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

5-amino-N-(2-hydroxyethyl)-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 11538360) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxyethyl)-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxyethyl)-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID11538360
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC Name5-amino-N-(2-hydroxyethyl)-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(-c2nc(SC)nc3sc(C(=O)NCCO)c(N)c23)c1
InChIInChI=1S/C17H18N4O3S2/c1-24-10-5-3-4-9(8-10)13-11-12(18)14(15(23)19-6-7-22)26-16(11)21-17(20-13)25-2/h3-5,8,22H,6-7,18H2,1-2H3,(H,19,23)
InChIKeyKYMXUEHVSOENHN-UHFFFAOYSA-N
XLogP2.39
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxyethyl)-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-(2-hydroxyethyl)-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide (CID 11538360) is 5-amino-N-(2-hydroxyethyl)-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(2-hydroxyethyl)-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-(2-hydroxyethyl)-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide is COc1cccc(-c2nc(SC)nc3sc(C(=O)NCCO)c(N)c23)c1.
What is the InChIKey of 5-amino-N-(2-hydroxyethyl)-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KYMXUEHVSOENHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c1-24-10-5-3-4-9(8-10)13-11-12(18)14(15(23)19-6-7-22)26-16(11)21-17(20-13)25-2/h3-5,8,22H,6-7,18H2,1-2H3,(H,19,23).
What are the key properties of 5-amino-N-(2-hydroxyethyl)-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-N-(2-hydroxyethyl)-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxyethyl)-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 11538360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).