4-(2,5-dimethylfuran-3-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine

C18H19N3O — CID 14347078

IUPAC4-(2,5-dimethylfuran-3-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3cc(C)oc3C)n2)c1
InChIInChI=1S/C18H19N3O/c1-11-7-12(2)9-15(8-11)20-18-19-6-5-17(21-18)16-10-13(3)22-14(16)4/h5-10H,1-4H3,(H,19,20,21)
InChIKeyCOFRLEYSNPHBIT-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.71
Rot. Bonds3

About 4-(2,5-dimethylfuran-3-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine

4-(2,5-dimethylfuran-3-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine (PubChem CID 14347078) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(2,5-dimethylfuran-3-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylfuran-3-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
PubChem CID14347078
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-(2,5-dimethylfuran-3-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3cc(C)oc3C)n2)c1
InChIInChI=1S/C18H19N3O/c1-11-7-12(2)9-15(8-11)20-18-19-6-5-17(21-18)16-10-13(3)22-14(16)4/h5-10H,1-4H3,(H,19,20,21)
InChIKeyCOFRLEYSNPHBIT-UHFFFAOYSA-N
XLogP4.71
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylfuran-3-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,5-dimethylfuran-3-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine (CID 14347078) is 4-(2,5-dimethylfuran-3-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,5-dimethylfuran-3-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,5-dimethylfuran-3-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-c3cc(C)oc3C)n2)c1.
What is the InChIKey of 4-(2,5-dimethylfuran-3-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The InChIKey is COFRLEYSNPHBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-11-7-12(2)9-15(8-11)20-18-19-6-5-17(21-18)16-10-13(3)22-14(16)4/h5-10H,1-4H3,(H,19,20,21).
What are the key properties of 4-(2,5-dimethylfuran-3-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
4-(2,5-dimethylfuran-3-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylfuran-3-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 14347078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).