N-[4-amino-2-(2-amino-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide

C11H10BrN5O4S — CID 135701184

About N-[4-amino-2-(2-amino-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide

N-[4-amino-2-(2-amino-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide (PubChem CID 135701184) has the molecular formula C11H10BrN5O4S and a molecular weight of 388.20 g/mol. Its IUPAC name is N-[4-amino-2-(2-amino-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-amino-2-(2-amino-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide
• PubChem CID: 135701184
• Molecular Formula: C11H10BrN5O4S
• Molecular Weight: 388.20 g/mol
• Exact Mass: 386.96
• IUPAC Name: N-[4-amino-2-(2-amino-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide
• SMILES: NC(=O)CSc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[nH]1
• InChI: InChI=1S/C11H10BrN5O4S/c12-5-2-1-4(21-5)9(19)15-7-8(14)16-11(17-10(7)20)22-3-6(13)18/h1-2H,3H2,(H2,13,18)(H,15,19)(H3,14,16,17,20)
• InChIKey: MNARZQLMMGRYEV-UHFFFAOYSA-N
• XLogP: 0.54
• TPSA: 157.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.20
LogP ≤ 5	0.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(2-amino-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide?

The IUPAC name of N-[4-amino-2-(2-amino-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide (CID 135701184) is N-[4-amino-2-(2-amino-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide.

What is the SMILES notation for N-[4-amino-2-(2-amino-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide?

The canonical SMILES for N-[4-amino-2-(2-amino-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide is NC(=O)CSc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[nH]1.

What is the InChIKey of N-[4-amino-2-(2-amino-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide?

The InChIKey is MNARZQLMMGRYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O4S/c12-5-2-1-4(21-5)9(19)15-7-8(14)16-11(17-10(7)20)22-3-6(13)18/h1-2H,3H2,(H2,13,18)(H,15,19)(H3,14,16,17,20).

What are the key properties of N-[4-amino-2-(2-amino-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide?

N-[4-amino-2-(2-amino-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide has a molecular weight of 388.20 g/mol, XLogP of 0.54, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-amino-2-(2-amino-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 135701184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).