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

C17H16FN5O2S — CID 59647174

IUPAC5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1F
InChIInChI=1S/C17H16FN5O2S/c1-25-9-4-2-3-8(11(9)18)13-10-12(19)14(15(20)24)26-16(10)23-17(22-13)21-7-5-6-7/h2-4,7H,5-6,19H2,1H3,(H2,20,24)(H,21,22,23)
InChIKeyGMXHPRDBIUUUST-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.76
Rot. Bonds5

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

5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 59647174) has the molecular formula C17H16FN5O2S and a molecular weight of 373.41 g/mol. Its IUPAC name is 5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID59647174
Molecular FormulaC17H16FN5O2S
Molecular Weight373.41 g/mol
Exact Mass373.10
IUPAC Name5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1F
InChIInChI=1S/C17H16FN5O2S/c1-25-9-4-2-3-8(11(9)18)13-10-12(19)14(15(20)24)26-16(10)23-17(22-13)21-7-5-6-7/h2-4,7H,5-6,19H2,1H3,(H2,20,24)(H,21,22,23)
InChIKeyGMXHPRDBIUUUST-UHFFFAOYSA-N
XLogP2.76
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 59647174) is 5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is COc1cccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1F.
What is the InChIKey of 5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GMXHPRDBIUUUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2S/c1-25-9-4-2-3-8(11(9)18)13-10-12(19)14(15(20)24)26-16(10)23-17(22-13)21-7-5-6-7/h2-4,7H,5-6,19H2,1H3,(H2,20,24)(H,21,22,23).
What are the key properties of 5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59647174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).