5-amino-4-(4,5-dimethylfuran-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide

C14H15N5O2S — CID 58125855

IUPAC5-amino-4-(4,5-dimethylfuran-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNc1nc(-c2cc(C)c(C)o2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C14H15N5O2S/c1-5-4-7(21-6(5)2)10-8-9(15)11(12(16)20)22-13(8)19-14(17-3)18-10/h4H,15H2,1-3H3,(H2,16,20)(H,17,18,19)
InChIKeyNWRXWWHQVDCTCN-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.29
Rot. Bonds3

About 5-amino-4-(4,5-dimethylfuran-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-4-(4,5-dimethylfuran-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 58125855) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-amino-4-(4,5-dimethylfuran-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-(4,5-dimethylfuran-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID58125855
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name5-amino-4-(4,5-dimethylfuran-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNc1nc(-c2cc(C)c(C)o2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C14H15N5O2S/c1-5-4-7(21-6(5)2)10-8-9(15)11(12(16)20)22-13(8)19-14(17-3)18-10/h4H,15H2,1-3H3,(H2,16,20)(H,17,18,19)
InChIKeyNWRXWWHQVDCTCN-UHFFFAOYSA-N
XLogP2.29
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-amino-4-(4,5-dimethylfuran-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4,5-dimethylfuran-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-(4,5-dimethylfuran-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 58125855) is 5-amino-4-(4,5-dimethylfuran-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-(4,5-dimethylfuran-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-(4,5-dimethylfuran-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide is CNc1nc(-c2cc(C)c(C)o2)c2c(N)c(C(N)=O)sc2n1.
What is the InChIKey of 5-amino-4-(4,5-dimethylfuran-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NWRXWWHQVDCTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-5-4-7(21-6(5)2)10-8-9(15)11(12(16)20)22-13(8)19-14(17-3)18-10/h4H,15H2,1-3H3,(H2,16,20)(H,17,18,19).
What are the key properties of 5-amino-4-(4,5-dimethylfuran-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-(4,5-dimethylfuran-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4,5-dimethylfuran-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 58125855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).