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

C16H15ClN4O3S — CID 58056149

IUPACN-(5-chloro-2-methoxyphenyl)-2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1csc2cnc(NCCO)nc12
InChIInChI=1S/C16H15ClN4O3S/c1-24-12-3-2-9(17)6-11(12)20-15(23)10-8-25-13-7-19-16(18-4-5-22)21-14(10)13/h2-3,6-8,22H,4-5H2,1H3,(H,20,23)(H,18,19,21)
InChIKeyBPIKYAWMDLBRGP-UHFFFAOYSA-N
MW378.84 g/mol
LogP3.01
Rot. Bonds6

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

N-(5-chloro-2-methoxyphenyl)-2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056149) has the molecular formula C16H15ClN4O3S and a molecular weight of 378.84 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056149
Molecular FormulaC16H15ClN4O3S
Molecular Weight378.84 g/mol
Exact Mass378.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1csc2cnc(NCCO)nc12
InChIInChI=1S/C16H15ClN4O3S/c1-24-12-3-2-9(17)6-11(12)20-15(23)10-8-25-13-7-19-16(18-4-5-22)21-14(10)13/h2-3,6-8,22H,4-5H2,1H3,(H,20,23)(H,18,19,21)
InChIKeyBPIKYAWMDLBRGP-UHFFFAOYSA-N
XLogP3.01
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 127048450
N-(5-chloro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056178
N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056239
N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056288
2-(2-aminoethylamino)-N-(5-chloro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 66664716
N-(5-chloro-2-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridine-3-carboxamide
CID 86296954
N-(5-chloro-2-methoxyphenyl)-2-[methyl(propyl)amino]thieno[3,2-d]pyrimidine-7-carboxamide
CID 117634614
N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 127048451
N-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 127049266
N-[2-(4-aminocyclohexyl)oxy-5-chlorophenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056086
N-(5-chloro-2-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056103
N-[5-chloro-2-(3-hydroxycyclopentyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056205

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056149) is N-(5-chloro-2-methoxyphenyl)-2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidine-7-carboxamide is COc1ccc(Cl)cc1NC(=O)c1csc2cnc(NCCO)nc12.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is BPIKYAWMDLBRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3S/c1-24-12-3-2-9(17)6-11(12)20-15(23)10-8-25-13-7-19-16(18-4-5-22)21-14(10)13/h2-3,6-8,22H,4-5H2,1H3,(H,20,23)(H,18,19,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidine-7-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 378.84 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).