5-butyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine

C17H18N4O — CID 139449763

IUPAC5-butyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine
SMILESCCCCc1c(-c2ccoc2)nc(N)nc1-c1ccccn1
InChIInChI=1S/C17H18N4O/c1-2-3-6-13-15(12-8-10-22-11-12)20-17(18)21-16(13)14-7-4-5-9-19-14/h4-5,7-11H,2-3,6H2,1H3,(H2,18,20,21)
InChIKeyZLLXSEWHOIJICD-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.72
Rot. Bonds5

About 5-butyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine

5-butyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine (PubChem CID 139449763) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-butyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-butyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine
PubChem CID139449763
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name5-butyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine
SMILESCCCCc1c(-c2ccoc2)nc(N)nc1-c1ccccn1
InChIInChI=1S/C17H18N4O/c1-2-3-6-13-15(12-8-10-22-11-12)20-17(18)21-16(13)14-7-4-5-9-19-14/h4-5,7-11H,2-3,6H2,1H3,(H2,18,20,21)
InChIKeyZLLXSEWHOIJICD-UHFFFAOYSA-N
XLogP3.72
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of 5-butyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine (CID 139449763) is 5-butyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-butyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-butyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine is CCCCc1c(-c2ccoc2)nc(N)nc1-c1ccccn1.
What is the InChIKey of 5-butyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is ZLLXSEWHOIJICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-3-6-13-15(12-8-10-22-11-12)20-17(18)21-16(13)14-7-4-5-9-19-14/h4-5,7-11H,2-3,6H2,1H3,(H2,18,20,21).
What are the key properties of 5-butyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine?
5-butyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 294.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 139449763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).