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

C16H15N3O — CID 14347058

IUPACN-(3,5-dimethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3ccco3)n2)c1
InChIInChI=1S/C16H15N3O/c1-11-8-12(2)10-13(9-11)18-16-17-6-5-14(19-16)15-4-3-7-20-15/h3-10H,1-2H3,(H,17,18,19)
InChIKeyUACRXLPLEKDALH-UHFFFAOYSA-N
MW265.32 g/mol
LogP4.10
Rot. Bonds3

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

N-(3,5-dimethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine (PubChem CID 14347058) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine
PubChem CID14347058
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-(3,5-dimethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3ccco3)n2)c1
InChIInChI=1S/C16H15N3O/c1-11-8-12(2)10-13(9-11)18-16-17-6-5-14(19-16)15-4-3-7-20-15/h3-10H,1-2H3,(H,17,18,19)
InChIKeyUACRXLPLEKDALH-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 N-(3,5-dimethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine (CID 14347058) is N-(3,5-dimethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-c3ccco3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine?
The InChIKey is UACRXLPLEKDALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-8-12(2)10-13(9-11)18-16-17-6-5-14(19-16)15-4-3-7-20-15/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of N-(3,5-dimethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine?
N-(3,5-dimethylphenyl)-4-(furan-2-yl)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 N-(3,5-dimethylphenyl)-4-(furan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 14347058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).