2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide

C13H18N4OS — CID 133492838

IUPAC2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCc1nc(NC(C(N)=O)C(C)C)c2c(C)csc2n1
InChIInChI=1S/C13H18N4OS/c1-6(2)10(11(14)18)17-12-9-7(3)5-19-13(9)16-8(4)15-12/h5-6,10H,1-4H3,(H2,14,18)(H,15,16,17)
InChIKeyZVWTVBPPVFMGJY-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.23
Rot. Bonds4

About 2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide

2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide (PubChem CID 133492838) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide
PubChem CID133492838
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCc1nc(NC(C(N)=O)C(C)C)c2c(C)csc2n1
InChIInChI=1S/C13H18N4OS/c1-6(2)10(11(14)18)17-12-9-7(3)5-19-13(9)16-8(4)15-12/h5-6,10H,1-4H3,(H2,14,18)(H,15,16,17)
InChIKeyZVWTVBPPVFMGJY-UHFFFAOYSA-N
XLogP2.23
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide (CID 133492838) is 2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide is Cc1nc(NC(C(N)=O)C(C)C)c2c(C)csc2n1.
What is the InChIKey of 2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide?
The InChIKey is ZVWTVBPPVFMGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-6(2)10(11(14)18)17-12-9-7(3)5-19-13(9)16-8(4)15-12/h5-6,10H,1-4H3,(H2,14,18)(H,15,16,17).
What are the key properties of 2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide?
2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide has a molecular weight of 278.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 133492838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).