N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide

C11H12N4O4S — CID 135831405

IUPACN-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide
SMILESNc1nc(SCCO)[nH]c(=O)c1NC(=O)c1ccco1
InChIInChI=1S/C11H12N4O4S/c12-8-7(13-9(17)6-2-1-4-19-6)10(18)15-11(14-8)20-5-3-16/h1-2,4,16H,3,5H2,(H,13,17)(H3,12,14,15,18)
InChIKeyYTJPVBOQWMNFDH-UHFFFAOYSA-N
MW296.31 g/mol
LogP0.28
Rot. Bonds5

About N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide

N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide (PubChem CID 135831405) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide
PubChem CID135831405
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC NameN-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide
SMILESNc1nc(SCCO)[nH]c(=O)c1NC(=O)c1ccco1
InChIInChI=1S/C11H12N4O4S/c12-8-7(13-9(17)6-2-1-4-19-6)10(18)15-11(14-8)20-5-3-16/h1-2,4,16H,3,5H2,(H,13,17)(H3,12,14,15,18)
InChIKeyYTJPVBOQWMNFDH-UHFFFAOYSA-N
XLogP0.28
TPSA134.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide?
The IUPAC name of N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide (CID 135831405) is N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide is Nc1nc(SCCO)[nH]c(=O)c1NC(=O)c1ccco1.
What is the InChIKey of N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide?
The InChIKey is YTJPVBOQWMNFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c12-8-7(13-9(17)6-2-1-4-19-6)10(18)15-11(14-8)20-5-3-16/h1-2,4,16H,3,5H2,(H,13,17)(H3,12,14,15,18).
What are the key properties of N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide?
N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 0.28, 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-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide is sourced from PubChem (CID 135831405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).