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

C17H17N3O — CID 14347077

IUPAC4-(2,5-dimethylfuran-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3cc(C)oc3C)n2)c1
InChIInChI=1S/C17H17N3O/c1-11-5-4-6-14(9-11)19-17-18-8-7-16(20-17)15-10-12(2)21-13(15)3/h4-10H,1-3H3,(H,18,19,20)
InChIKeyJSZDJETZIZMVLK-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.41
Rot. Bonds3

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

4-(2,5-dimethylfuran-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine (PubChem CID 14347077) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(2,5-dimethylfuran-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylfuran-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine
PubChem CID14347077
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-(2,5-dimethylfuran-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3cc(C)oc3C)n2)c1
InChIInChI=1S/C17H17N3O/c1-11-5-4-6-14(9-11)19-17-18-8-7-16(20-17)15-10-12(2)21-13(15)3/h4-10H,1-3H3,(H,18,19,20)
InChIKeyJSZDJETZIZMVLK-UHFFFAOYSA-N
XLogP4.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.41
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-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,5-dimethylfuran-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine (CID 14347077) is 4-(2,5-dimethylfuran-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,5-dimethylfuran-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,5-dimethylfuran-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine is Cc1cccc(Nc2nccc(-c3cc(C)oc3C)n2)c1.
What is the InChIKey of 4-(2,5-dimethylfuran-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
The InChIKey is JSZDJETZIZMVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-5-4-6-14(9-11)19-17-18-8-7-16(20-17)15-10-12(2)21-13(15)3/h4-10H,1-3H3,(H,18,19,20).
What are the key properties of 4-(2,5-dimethylfuran-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
4-(2,5-dimethylfuran-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine has a molecular weight of 279.34 g/mol, XLogP of 4.41, 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-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 14347077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).