2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine

C17H23N3O — CID 82454179

IUPAC2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine
SMILESCc1ccc(CNc2cc(OCC(C)C)nc(C)n2)cc1
InChIInChI=1S/C17H23N3O/c1-12(2)11-21-17-9-16(19-14(4)20-17)18-10-15-7-5-13(3)6-8-15/h5-9,12H,10-11H2,1-4H3,(H,18,19,20)
InChIKeyVLRFOHIMRNMHPC-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.74
Rot. Bonds6

About 2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine

2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine (PubChem CID 82454179) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine
PubChem CID82454179
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine
SMILESCc1ccc(CNc2cc(OCC(C)C)nc(C)n2)cc1
InChIInChI=1S/C17H23N3O/c1-12(2)11-21-17-9-16(19-14(4)20-17)18-10-15-7-5-13(3)6-8-15/h5-9,12H,10-11H2,1-4H3,(H,18,19,20)
InChIKeyVLRFOHIMRNMHPC-UHFFFAOYSA-N
XLogP3.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 82454445
2-methyl-6-(2-methylpropoxy)-N-(2-phenylethyl)pyrimidin-4-amine
CID 82454168
4-N-butan-2-yl-2-methyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112868240
N-[(4-chlorophenyl)methyl]-2-methyl-6-propoxypyrimidin-4-amine
CID 82454030
2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455532
2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456714
2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456498
N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326678
N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331237
N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66325047
6-N-[(4-methoxyphenyl)methyl]-2-methyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868056
6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82454448

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine (CID 82454179) is 2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine is Cc1ccc(CNc2cc(OCC(C)C)nc(C)n2)cc1.
What is the InChIKey of 2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine?
The InChIKey is VLRFOHIMRNMHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(2)11-21-17-9-16(19-14(4)20-17)18-10-15-7-5-13(3)6-8-15/h5-9,12H,10-11H2,1-4H3,(H,18,19,20).
What are the key properties of 2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine?
2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine is sourced from PubChem (CID 82454179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).