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

C15H13N3O — CID 14347008

IUPAC4-(furan-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3ccco3)n2)c1
InChIInChI=1S/C15H13N3O/c1-11-4-2-5-12(10-11)17-15-16-8-7-13(18-15)14-6-3-9-19-14/h2-10H,1H3,(H,16,17,18)
InChIKeyKZHCHSRYQNSPGE-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.79
Rot. Bonds3

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

4-(furan-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine (PubChem CID 14347008) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine
PubChem CID14347008
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-(furan-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3ccco3)n2)c1
InChIInChI=1S/C15H13N3O/c1-11-4-2-5-12(10-11)17-15-16-8-7-13(18-15)14-6-3-9-19-14/h2-10H,1H3,(H,16,17,18)
InChIKeyKZHCHSRYQNSPGE-UHFFFAOYSA-N
XLogP3.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine (CID 14347008) is 4-(furan-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine is Cc1cccc(Nc2nccc(-c3ccco3)n2)c1.
What is the InChIKey of 4-(furan-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
The InChIKey is KZHCHSRYQNSPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-4-2-5-12(10-11)17-15-16-8-7-13(18-15)14-6-3-9-19-14/h2-10H,1H3,(H,16,17,18).
What are the key properties of 4-(furan-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
4-(furan-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 14347008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).