N-(5-chloro-2-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]thieno[3,2-d]pyrimidine-7-carboxamide

C17H17ClN4O3S — CID 58056103

IUPACN-(5-chloro-2-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1csc2cnc(N(C)CCO)nc12
InChIInChI=1S/C17H17ClN4O3S/c1-22(5-6-23)17-19-8-14-15(21-17)11(9-26-14)16(24)20-12-7-10(18)3-4-13(12)25-2/h3-4,7-9,23H,5-6H2,1-2H3,(H,20,24)
InChIKeyPRLPIURZVNQFKS-UHFFFAOYSA-N
MW392.87 g/mol
LogP3.03
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]thieno[3,2-d]pyrimidine-7-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056103) has the molecular formula C17H17ClN4O3S and a molecular weight of 392.87 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056103
Molecular FormulaC17H17ClN4O3S
Molecular Weight392.87 g/mol
Exact Mass392.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1csc2cnc(N(C)CCO)nc12
InChIInChI=1S/C17H17ClN4O3S/c1-22(5-6-23)17-19-8-14-15(21-17)11(9-26-14)16(24)20-12-7-10(18)3-4-13(12)25-2/h3-4,7-9,23H,5-6H2,1-2H3,(H,20,24)
InChIKeyPRLPIURZVNQFKS-UHFFFAOYSA-N
XLogP3.03
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056103) is N-(5-chloro-2-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]thieno[3,2-d]pyrimidine-7-carboxamide is COc1ccc(Cl)cc1NC(=O)c1csc2cnc(N(C)CCO)nc12.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is PRLPIURZVNQFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3S/c1-22(5-6-23)17-19-8-14-15(21-17)11(9-26-14)16(24)20-12-7-10(18)3-4-13(12)25-2/h3-4,7-9,23H,5-6H2,1-2H3,(H,20,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]thieno[3,2-d]pyrimidine-7-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 392.87 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).