5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

C16H15N5O2S — CID 57392635

IUPAC5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(O)c3)c2c1N
InChIInChI=1S/C16H15N5O2S/c17-11-10-12(7-2-1-3-9(22)6-7)20-16(19-8-4-5-8)21-15(10)24-13(11)14(18)23/h1-3,6,8,22H,4-5,17H2,(H2,18,23)(H,19,20,21)
InChIKeySSGFQWJVEGWBGZ-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.32
Rot. Bonds4

About 5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 57392635) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID57392635
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(O)c3)c2c1N
InChIInChI=1S/C16H15N5O2S/c17-11-10-12(7-2-1-3-9(22)6-7)20-16(19-8-4-5-8)21-15(10)24-13(11)14(18)23/h1-3,6,8,22H,4-5,17H2,(H2,18,23)(H,19,20,21)
InChIKeySSGFQWJVEGWBGZ-UHFFFAOYSA-N
XLogP2.32
TPSA127.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 57392635) is 5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is NC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(O)c3)c2c1N.
What is the InChIKey of 5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SSGFQWJVEGWBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c17-11-10-12(7-2-1-3-9(22)6-7)20-16(19-8-4-5-8)21-15(10)24-13(11)14(18)23/h1-3,6,8,22H,4-5,17H2,(H2,18,23)(H,19,20,21).
What are the key properties of 5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 341.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 57392635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).