2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine

C16H15N3O — CID 3234233

IUPAC2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1cccc(CNc2ccnc(-c3ccoc3)n2)c1
InChIInChI=1S/C16H15N3O/c1-12-3-2-4-13(9-12)10-18-15-5-7-17-16(19-15)14-6-8-20-11-14/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyRGLDLMWZYIGFBY-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.66
Rot. Bonds4

About 2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine

2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine (PubChem CID 3234233) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
PubChem CID3234233
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1cccc(CNc2ccnc(-c3ccoc3)n2)c1
InChIInChI=1S/C16H15N3O/c1-12-3-2-4-13(9-12)10-18-15-5-7-17-16(19-15)14-6-8-20-11-14/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyRGLDLMWZYIGFBY-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine (CID 3234233) is 2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine is Cc1cccc(CNc2ccnc(-c3ccoc3)n2)c1.
What is the InChIKey of 2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is RGLDLMWZYIGFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-3-2-4-13(9-12)10-18-15-5-7-17-16(19-15)14-6-8-20-11-14/h2-9,11H,10H2,1H3,(H,17,18,19).
What are the key properties of 2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine?
2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 265.32 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 3234233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).