6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine

C15H19N3O — CID 80503710

IUPAC6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine
SMILESCc1cc(C)c(OCc2nc(C)cc(N)n2)c(C)c1
InChIInChI=1S/C15H19N3O/c1-9-5-10(2)15(11(3)6-9)19-8-14-17-12(4)7-13(16)18-14/h5-7H,8H2,1-4H3,(H2,16,17,18)
InChIKeyJLCHAFFAGRLCTB-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.87
Rot. Bonds3

About 6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine

6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine (PubChem CID 80503710) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine
PubChem CID80503710
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine
SMILESCc1cc(C)c(OCc2nc(C)cc(N)n2)c(C)c1
InChIInChI=1S/C15H19N3O/c1-9-5-10(2)15(11(3)6-9)19-8-14-17-12(4)7-13(16)18-14/h5-7H,8H2,1-4H3,(H2,16,17,18)
InChIKeyJLCHAFFAGRLCTB-UHFFFAOYSA-N
XLogP2.87
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80656225
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 3051325
2-[(2-chloro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80654623
2-[(2,6-dichloro-4-nitrophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80664200
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051324
2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62188361
2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80655014
2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051323
5-[(2,4,6-trimethylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82082176
2-(chloromethyl)-6-methylpyrimidin-4-amine
CID 14693651
2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 107100969
6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80503642

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine (CID 80503710) is 6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine is Cc1cc(C)c(OCc2nc(C)cc(N)n2)c(C)c1.
What is the InChIKey of 6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine?
The InChIKey is JLCHAFFAGRLCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-5-10(2)15(11(3)6-9)19-8-14-17-12(4)7-13(16)18-14/h5-7H,8H2,1-4H3,(H2,16,17,18).
What are the key properties of 6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine?
6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80503710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).