N-benzyl-5-(furan-3-yl)pyrimidin-4-amine

C15H13N3O — CID 3232979

IUPACN-benzyl-5-(furan-3-yl)pyrimidin-4-amine
SMILESc1ccc(CNc2ncncc2-c2ccoc2)cc1
InChIInChI=1S/C15H13N3O/c1-2-4-12(5-3-1)8-17-15-14(9-16-11-18-15)13-6-7-19-10-13/h1-7,9-11H,8H2,(H,16,17,18)
InChIKeyOEZVYVDUDWZBPG-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.35
Rot. Bonds4

About N-benzyl-5-(furan-3-yl)pyrimidin-4-amine

N-benzyl-5-(furan-3-yl)pyrimidin-4-amine (PubChem CID 3232979) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-benzyl-5-(furan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-5-(furan-3-yl)pyrimidin-4-amine
PubChem CID3232979
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-benzyl-5-(furan-3-yl)pyrimidin-4-amine
SMILESc1ccc(CNc2ncncc2-c2ccoc2)cc1
InChIInChI=1S/C15H13N3O/c1-2-4-12(5-3-1)8-17-15-14(9-16-11-18-15)13-6-7-19-10-13/h1-7,9-11H,8H2,(H,16,17,18)
InChIKeyOEZVYVDUDWZBPG-UHFFFAOYSA-N
XLogP3.35
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(furan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-benzyl-5-(furan-3-yl)pyrimidin-4-amine (CID 3232979) is N-benzyl-5-(furan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-5-(furan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-benzyl-5-(furan-3-yl)pyrimidin-4-amine is c1ccc(CNc2ncncc2-c2ccoc2)cc1.
What is the InChIKey of N-benzyl-5-(furan-3-yl)pyrimidin-4-amine?
The InChIKey is OEZVYVDUDWZBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-2-4-12(5-3-1)8-17-15-14(9-16-11-18-15)13-6-7-19-10-13/h1-7,9-11H,8H2,(H,16,17,18).
What are the key properties of N-benzyl-5-(furan-3-yl)pyrimidin-4-amine?
N-benzyl-5-(furan-3-yl)pyrimidin-4-amine has a molecular weight of 251.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(furan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 3232979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).