6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine

C16H21N3O — CID 80654286

IUPAC6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(COc2ccccc2C)n1
InChIInChI=1S/C16H21N3O/c1-4-9-17-15-10-13(3)18-16(19-15)11-20-14-8-6-5-7-12(14)2/h5-8,10H,4,9,11H2,1-3H3,(H,17,18,19)
InChIKeyDMSRULMBGVLHTA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.49
Rot. Bonds6

About 6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine

6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine (PubChem CID 80654286) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine
PubChem CID80654286
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(COc2ccccc2C)n1
InChIInChI=1S/C16H21N3O/c1-4-9-17-15-10-13(3)18-16(19-15)11-20-14-8-6-5-7-12(14)2/h5-8,10H,4,9,11H2,1-3H3,(H,17,18,19)
InChIKeyDMSRULMBGVLHTA-UHFFFAOYSA-N
XLogP3.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-methylphenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 107285486
2-[(3-chloro-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 116689913
6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine
CID 80654123
2-[(5-bromo-2-chlorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80663368
2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 114676651
[6-methyl-2-[(2-propoxyphenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80664443
2-[(5-fluoro-2-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 102984950
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80664925
2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654842
6-methyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 62192485
2-methyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80869254

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine (CID 80654286) is 6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(COc2ccccc2C)n1.
What is the InChIKey of 6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine?
The InChIKey is DMSRULMBGVLHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-9-17-15-10-13(3)18-16(19-15)11-20-14-8-6-5-7-12(14)2/h5-8,10H,4,9,11H2,1-3H3,(H,17,18,19).
What are the key properties of 6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine?
6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80654286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).