4-bromo-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide

C15H16BrN5O2S — CID 19575798

IUPAC4-bromo-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide
SMILESCCCc1cc2c(=O)n(NC(=O)c3nn(C)cc3Br)c(C)nc2s1
InChIInChI=1S/C15H16BrN5O2S/c1-4-5-9-6-10-14(24-9)17-8(2)21(15(10)23)19-13(22)12-11(16)7-20(3)18-12/h6-7H,4-5H2,1-3H3,(H,19,22)
InChIKeyXQHFCOUOCNOBFZ-UHFFFAOYSA-N
MW410.30 g/mol
LogP2.60
Rot. Bonds4

About 4-bromo-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide

4-bromo-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide (PubChem CID 19575798) has the molecular formula C15H16BrN5O2S and a molecular weight of 410.30 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide
PubChem CID19575798
Molecular FormulaC15H16BrN5O2S
Molecular Weight410.30 g/mol
Exact Mass409.02
IUPAC Name4-bromo-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide
SMILESCCCc1cc2c(=O)n(NC(=O)c3nn(C)cc3Br)c(C)nc2s1
InChIInChI=1S/C15H16BrN5O2S/c1-4-5-9-6-10-14(24-9)17-8(2)21(15(10)23)19-13(22)12-11(16)7-20(3)18-12/h6-7H,4-5H2,1-3H3,(H,19,22)
InChIKeyXQHFCOUOCNOBFZ-UHFFFAOYSA-N
XLogP2.60
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide (CID 19575798) is 4-bromo-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide is CCCc1cc2c(=O)n(NC(=O)c3nn(C)cc3Br)c(C)nc2s1.
What is the InChIKey of 4-bromo-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide?
The InChIKey is XQHFCOUOCNOBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5O2S/c1-4-5-9-6-10-14(24-9)17-8(2)21(15(10)23)19-13(22)12-11(16)7-20(3)18-12/h6-7H,4-5H2,1-3H3,(H,19,22).
What are the key properties of 4-bromo-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide?
4-bromo-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide has a molecular weight of 410.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 19575798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).