5-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]furan-2-carboxamide

C13H16N4O2 — CID 133461590

IUPAC5-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]furan-2-carboxamide
SMILESCCc1cc(NCc2ccc(C(N)=O)o2)nc(C)n1
InChIInChI=1S/C13H16N4O2/c1-3-9-6-12(17-8(2)16-9)15-7-10-4-5-11(19-10)13(14)18/h4-6H,3,7H2,1-2H3,(H2,14,18)(H,15,16,17)
InChIKeyHRBIBQWJCCYYTQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.65
Rot. Bonds5

About 5-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]furan-2-carboxamide

5-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]furan-2-carboxamide (PubChem CID 133461590) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]furan-2-carboxamide
PubChem CID133461590
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]furan-2-carboxamide
SMILESCCc1cc(NCc2ccc(C(N)=O)o2)nc(C)n1
InChIInChI=1S/C13H16N4O2/c1-3-9-6-12(17-8(2)16-9)15-7-10-4-5-11(19-10)13(14)18/h4-6H,3,7H2,1-2H3,(H2,14,18)(H,15,16,17)
InChIKeyHRBIBQWJCCYYTQ-UHFFFAOYSA-N
XLogP1.65
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]furan-2-carboxamide?
The IUPAC name of 5-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]furan-2-carboxamide (CID 133461590) is 5-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]furan-2-carboxamide?
The canonical SMILES for 5-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]furan-2-carboxamide is CCc1cc(NCc2ccc(C(N)=O)o2)nc(C)n1.
What is the InChIKey of 5-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]furan-2-carboxamide?
The InChIKey is HRBIBQWJCCYYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-9-6-12(17-8(2)16-9)15-7-10-4-5-11(19-10)13(14)18/h4-6H,3,7H2,1-2H3,(H2,14,18)(H,15,16,17).
What are the key properties of 5-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]furan-2-carboxamide?
5-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]furan-2-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]furan-2-carboxamide is sourced from PubChem (CID 133461590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).