4-methoxy-N-[[3-(4-methylphenyl)phenyl]methyl]pyrimidin-5-amine

C19H19N3O — CID 166359740

IUPAC4-methoxy-N-[[3-(4-methylphenyl)phenyl]methyl]pyrimidin-5-amine
SMILESCOc1ncncc1NCc1cccc(-c2ccc(C)cc2)c1
InChIInChI=1S/C19H19N3O/c1-14-6-8-16(9-7-14)17-5-3-4-15(10-17)11-21-18-12-20-13-22-19(18)23-2/h3-10,12-13,21H,11H2,1-2H3
InChIKeySQMXINICSAZBSH-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.07
Rot. Bonds5

About 4-methoxy-N-[[3-(4-methylphenyl)phenyl]methyl]pyrimidin-5-amine

4-methoxy-N-[[3-(4-methylphenyl)phenyl]methyl]pyrimidin-5-amine (PubChem CID 166359740) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-methoxy-N-[[3-(4-methylphenyl)phenyl]methyl]pyrimidin-5-amine.

Molecular Properties

Compound Name4-methoxy-N-[[3-(4-methylphenyl)phenyl]methyl]pyrimidin-5-amine
PubChem CID166359740
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-methoxy-N-[[3-(4-methylphenyl)phenyl]methyl]pyrimidin-5-amine
SMILESCOc1ncncc1NCc1cccc(-c2ccc(C)cc2)c1
InChIInChI=1S/C19H19N3O/c1-14-6-8-16(9-7-14)17-5-3-4-15(10-17)11-21-18-12-20-13-22-19(18)23-2/h3-10,12-13,21H,11H2,1-2H3
InChIKeySQMXINICSAZBSH-UHFFFAOYSA-N
XLogP4.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[3-(4-methylphenyl)phenyl]methyl]pyrimidin-5-amine?
The IUPAC name of 4-methoxy-N-[[3-(4-methylphenyl)phenyl]methyl]pyrimidin-5-amine (CID 166359740) is 4-methoxy-N-[[3-(4-methylphenyl)phenyl]methyl]pyrimidin-5-amine.
What is the SMILES notation for 4-methoxy-N-[[3-(4-methylphenyl)phenyl]methyl]pyrimidin-5-amine?
The canonical SMILES for 4-methoxy-N-[[3-(4-methylphenyl)phenyl]methyl]pyrimidin-5-amine is COc1ncncc1NCc1cccc(-c2ccc(C)cc2)c1.
What is the InChIKey of 4-methoxy-N-[[3-(4-methylphenyl)phenyl]methyl]pyrimidin-5-amine?
The InChIKey is SQMXINICSAZBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14-6-8-16(9-7-14)17-5-3-4-15(10-17)11-21-18-12-20-13-22-19(18)23-2/h3-10,12-13,21H,11H2,1-2H3.
What are the key properties of 4-methoxy-N-[[3-(4-methylphenyl)phenyl]methyl]pyrimidin-5-amine?
4-methoxy-N-[[3-(4-methylphenyl)phenyl]methyl]pyrimidin-5-amine has a molecular weight of 305.38 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[3-(4-methylphenyl)phenyl]methyl]pyrimidin-5-amine is sourced from PubChem (CID 166359740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).