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

C16H16N6O2S — CID 57399527

IUPAC5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cncc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C16H16N6O2S/c1-24-9-4-7(5-19-6-9)12-10-11(17)13(14(18)23)25-15(10)22-16(21-12)20-8-2-3-8/h4-6,8H,2-3,17H2,1H3,(H2,18,23)(H,20,21,22)
InChIKeyACKXXKJTODHUOX-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.02
Rot. Bonds5

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

5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 57399527) has the molecular formula C16H16N6O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is 5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID57399527
Molecular FormulaC16H16N6O2S
Molecular Weight356.41 g/mol
Exact Mass356.11
IUPAC Name5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cncc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C16H16N6O2S/c1-24-9-4-7(5-19-6-9)12-10-11(17)13(14(18)23)25-15(10)22-16(21-12)20-8-2-3-8/h4-6,8H,2-3,17H2,1H3,(H2,18,23)(H,20,21,22)
InChIKeyACKXXKJTODHUOX-UHFFFAOYSA-N
XLogP2.02
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 57399527) is 5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide is COc1cncc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1.
What is the InChIKey of 5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ACKXXKJTODHUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S/c1-24-9-4-7(5-19-6-9)12-10-11(17)13(14(18)23)25-15(10)22-16(21-12)20-8-2-3-8/h4-6,8H,2-3,17H2,1H3,(H2,18,23)(H,20,21,22).
What are the key properties of 5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 57399527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).