N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-5-bromofuran-2-carboxamide

C10H9BrN4O3S — CID 135701170

IUPACN-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-5-bromofuran-2-carboxamide
SMILESCSc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[nH]1
InChIInChI=1S/C10H9BrN4O3S/c1-19-10-14-7(12)6(9(17)15-10)13-8(16)4-2-3-5(11)18-4/h2-3H,1H3,(H,13,16)(H3,12,14,15,17)
InChIKeyAPHZNQWDWFGYKU-UHFFFAOYSA-N
MW345.18 g/mol
LogP1.68
Rot. Bonds3

About N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-5-bromofuran-2-carboxamide

N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-5-bromofuran-2-carboxamide (PubChem CID 135701170) has the molecular formula C10H9BrN4O3S and a molecular weight of 345.18 g/mol. Its IUPAC name is N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-5-bromofuran-2-carboxamide
PubChem CID135701170
Molecular FormulaC10H9BrN4O3S
Molecular Weight345.18 g/mol
Exact Mass343.96
IUPAC NameN-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-5-bromofuran-2-carboxamide
SMILESCSc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[nH]1
InChIInChI=1S/C10H9BrN4O3S/c1-19-10-14-7(12)6(9(17)15-10)13-8(16)4-2-3-5(11)18-4/h2-3H,1H3,(H,13,16)(H3,12,14,15,17)
InChIKeyAPHZNQWDWFGYKU-UHFFFAOYSA-N
XLogP1.68
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-5-bromofuran-2-carboxamide?
The IUPAC name of N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-5-bromofuran-2-carboxamide (CID 135701170) is N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-5-bromofuran-2-carboxamide?
The canonical SMILES for N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-5-bromofuran-2-carboxamide is CSc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[nH]1.
What is the InChIKey of N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-5-bromofuran-2-carboxamide?
The InChIKey is APHZNQWDWFGYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O3S/c1-19-10-14-7(12)6(9(17)15-10)13-8(16)4-2-3-5(11)18-4/h2-3H,1H3,(H,13,16)(H3,12,14,15,17).
What are the key properties of N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-5-bromofuran-2-carboxamide?
N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-5-bromofuran-2-carboxamide has a molecular weight of 345.18 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-5-bromofuran-2-carboxamide is sourced from PubChem (CID 135701170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).