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

C17H18N4O — CID 139449812

IUPAC5-butyl-4-(furan-3-yl)-6-pyridin-4-ylpyrimidin-2-amine
SMILESCCCCc1c(-c2ccncc2)nc(N)nc1-c1ccoc1
InChIInChI=1S/C17H18N4O/c1-2-3-4-14-15(12-5-8-19-9-6-12)20-17(18)21-16(14)13-7-10-22-11-13/h5-11H,2-4H2,1H3,(H2,18,20,21)
InChIKeyFGPRFCGKAZILFH-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.72
Rot. Bonds5

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

5-butyl-4-(furan-3-yl)-6-pyridin-4-ylpyrimidin-2-amine (PubChem CID 139449812) 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-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-butyl-4-(furan-3-yl)-6-pyridin-4-ylpyrimidin-2-amine
PubChem CID139449812
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name5-butyl-4-(furan-3-yl)-6-pyridin-4-ylpyrimidin-2-amine
SMILESCCCCc1c(-c2ccncc2)nc(N)nc1-c1ccoc1
InChIInChI=1S/C17H18N4O/c1-2-3-4-14-15(12-5-8-19-9-6-12)20-17(18)21-16(14)13-7-10-22-11-13/h5-11H,2-4H2,1H3,(H2,18,20,21)
InChIKeyFGPRFCGKAZILFH-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-4-ylpyrimidin-2-amine?
The IUPAC name of 5-butyl-4-(furan-3-yl)-6-pyridin-4-ylpyrimidin-2-amine (CID 139449812) is 5-butyl-4-(furan-3-yl)-6-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-butyl-4-(furan-3-yl)-6-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-butyl-4-(furan-3-yl)-6-pyridin-4-ylpyrimidin-2-amine is CCCCc1c(-c2ccncc2)nc(N)nc1-c1ccoc1.
What is the InChIKey of 5-butyl-4-(furan-3-yl)-6-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is FGPRFCGKAZILFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-3-4-14-15(12-5-8-19-9-6-12)20-17(18)21-16(14)13-7-10-22-11-13/h5-11H,2-4H2,1H3,(H2,18,20,21).
What are the key properties of 5-butyl-4-(furan-3-yl)-6-pyridin-4-ylpyrimidin-2-amine?
5-butyl-4-(furan-3-yl)-6-pyridin-4-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-4-ylpyrimidin-2-amine is sourced from PubChem (CID 139449812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).