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

C17H17N5O2S — CID 57397920

IUPAC5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C17H17N5O2S/c1-24-10-4-2-3-8(7-10)13-11-12(18)14(15(19)23)25-16(11)22-17(21-13)20-9-5-6-9/h2-4,7,9H,5-6,18H2,1H3,(H2,19,23)(H,20,21,22)
InChIKeyUXOZSZOFORSOHH-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.62
Rot. Bonds5

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

5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 57397920) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID57397920
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C17H17N5O2S/c1-24-10-4-2-3-8(7-10)13-11-12(18)14(15(19)23)25-16(11)22-17(21-13)20-9-5-6-9/h2-4,7,9H,5-6,18H2,1H3,(H2,19,23)(H,20,21,22)
InChIKeyUXOZSZOFORSOHH-UHFFFAOYSA-N
XLogP2.62
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.62
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-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 57397920) is 5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is COc1cccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1.
What is the InChIKey of 5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is UXOZSZOFORSOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-24-10-4-2-3-8(7-10)13-11-12(18)14(15(19)23)25-16(11)22-17(21-13)20-9-5-6-9/h2-4,7,9H,5-6,18H2,1H3,(H2,19,23)(H,20,21,22).
What are the key properties of 5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.62, 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-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 57397920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).