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

C16H15N3O — CID 14347019

IUPAC4-(5-methylfuran-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3ccc(C)o3)n2)c1
InChIInChI=1S/C16H15N3O/c1-11-4-3-5-13(10-11)18-16-17-9-8-14(19-16)15-7-6-12(2)20-15/h3-10H,1-2H3,(H,17,18,19)
InChIKeyMYLZYNFCOYEQKC-UHFFFAOYSA-N
MW265.32 g/mol
LogP4.10
Rot. Bonds3

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

4-(5-methylfuran-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine (PubChem CID 14347019) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-(5-methylfuran-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-methylfuran-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine
PubChem CID14347019
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-(5-methylfuran-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3ccc(C)o3)n2)c1
InChIInChI=1S/C16H15N3O/c1-11-4-3-5-13(10-11)18-16-17-9-8-14(19-16)15-7-6-12(2)20-15/h3-10H,1-2H3,(H,17,18,19)
InChIKeyMYLZYNFCOYEQKC-UHFFFAOYSA-N
XLogP4.10
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(5-methylfuran-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine (CID 14347019) is 4-(5-methylfuran-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-methylfuran-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-methylfuran-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine is Cc1cccc(Nc2nccc(-c3ccc(C)o3)n2)c1.
What is the InChIKey of 4-(5-methylfuran-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
The InChIKey is MYLZYNFCOYEQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-4-3-5-13(10-11)18-16-17-9-8-14(19-16)15-7-6-12(2)20-15/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of 4-(5-methylfuran-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
4-(5-methylfuran-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 14347019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).