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

C16H16ClN5O2S — CID 66664716

IUPAC2-(2-aminoethylamino)-N-(5-chloro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1csc2cnc(NCCN)nc12
InChIInChI=1S/C16H16ClN5O2S/c1-24-12-3-2-9(17)6-11(12)21-15(23)10-8-25-13-7-20-16(19-5-4-18)22-14(10)13/h2-3,6-8H,4-5,18H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyUIEHXCCYHAUOFD-UHFFFAOYSA-N
MW377.86 g/mol
LogP2.98
Rot. Bonds6

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

2-(2-aminoethylamino)-N-(5-chloro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 66664716) has the molecular formula C16H16ClN5O2S and a molecular weight of 377.86 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-N-(5-chloro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethylamino)-N-(5-chloro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID66664716
Molecular FormulaC16H16ClN5O2S
Molecular Weight377.86 g/mol
Exact Mass377.07
IUPAC Name2-(2-aminoethylamino)-N-(5-chloro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1csc2cnc(NCCN)nc12
InChIInChI=1S/C16H16ClN5O2S/c1-24-12-3-2-9(17)6-11(12)21-15(23)10-8-25-13-7-20-16(19-5-4-18)22-14(10)13/h2-3,6-8H,4-5,18H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyUIEHXCCYHAUOFD-UHFFFAOYSA-N
XLogP2.98
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.86
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-N-(5-chloro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 2-(2-aminoethylamino)-N-(5-chloro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide (CID 66664716) is 2-(2-aminoethylamino)-N-(5-chloro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-(2-aminoethylamino)-N-(5-chloro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-(2-aminoethylamino)-N-(5-chloro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide is COc1ccc(Cl)cc1NC(=O)c1csc2cnc(NCCN)nc12.
What is the InChIKey of 2-(2-aminoethylamino)-N-(5-chloro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is UIEHXCCYHAUOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2S/c1-24-12-3-2-9(17)6-11(12)21-15(23)10-8-25-13-7-20-16(19-5-4-18)22-14(10)13/h2-3,6-8H,4-5,18H2,1H3,(H,21,23)(H,19,20,22).
What are the key properties of 2-(2-aminoethylamino)-N-(5-chloro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
2-(2-aminoethylamino)-N-(5-chloro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 377.86 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-N-(5-chloro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 66664716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).