N-(3-ethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine

C16H15N3O — CID 14347033

IUPACN-(3-ethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine
SMILESCCc1cccc(Nc2nccc(-c3ccco3)n2)c1
InChIInChI=1S/C16H15N3O/c1-2-12-5-3-6-13(11-12)18-16-17-9-8-14(19-16)15-7-4-10-20-15/h3-11H,2H2,1H3,(H,17,18,19)
InChIKeyKWJZOLVMFROFPR-UHFFFAOYSA-N
MW265.32 g/mol
LogP4.04
Rot. Bonds4

About N-(3-ethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine

N-(3-ethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine (PubChem CID 14347033) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-ethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine
PubChem CID14347033
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-(3-ethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine
SMILESCCc1cccc(Nc2nccc(-c3ccco3)n2)c1
InChIInChI=1S/C16H15N3O/c1-2-12-5-3-6-13(11-12)18-16-17-9-8-14(19-16)15-7-4-10-20-15/h3-11H,2H2,1H3,(H,17,18,19)
InChIKeyKWJZOLVMFROFPR-UHFFFAOYSA-N
XLogP4.04
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-ethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine (CID 14347033) is N-(3-ethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-ethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-ethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine is CCc1cccc(Nc2nccc(-c3ccco3)n2)c1.
What is the InChIKey of N-(3-ethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine?
The InChIKey is KWJZOLVMFROFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-12-5-3-6-13(11-12)18-16-17-9-8-14(19-16)15-7-4-10-20-15/h3-11H,2H2,1H3,(H,17,18,19).
What are the key properties of N-(3-ethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine?
N-(3-ethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 14347033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).