2-methyl-N-[[4-methyl-2-(4-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine

C17H23N3O — CID 83186537

IUPAC2-methyl-N-[[4-methyl-2-(4-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1ccc(Oc2ncc(CNC(C)(C)C)c(C)n2)cc1
InChIInChI=1S/C17H23N3O/c1-12-6-8-15(9-7-12)21-16-18-10-14(13(2)20-16)11-19-17(3,4)5/h6-10,19H,11H2,1-5H3
InChIKeyCSKBEHQZXNRJDV-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.77
Rot. Bonds4

About 2-methyl-N-[[4-methyl-2-(4-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine

2-methyl-N-[[4-methyl-2-(4-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 83186537) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-(4-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(4-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID83186537
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-methyl-N-[[4-methyl-2-(4-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1ccc(Oc2ncc(CNC(C)(C)C)c(C)n2)cc1
InChIInChI=1S/C17H23N3O/c1-12-6-8-15(9-7-12)21-16-18-10-14(13(2)20-16)11-19-17(3,4)5/h6-10,19H,11H2,1-5H3
InChIKeyCSKBEHQZXNRJDV-UHFFFAOYSA-N
XLogP3.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-(4-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(4-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine (CID 83186537) is 2-methyl-N-[[4-methyl-2-(4-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(4-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(4-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine is Cc1ccc(Oc2ncc(CNC(C)(C)C)c(C)n2)cc1.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(4-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is CSKBEHQZXNRJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-6-8-15(9-7-12)21-16-18-10-14(13(2)20-16)11-19-17(3,4)5/h6-10,19H,11H2,1-5H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-(4-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine?
2-methyl-N-[[4-methyl-2-(4-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-(4-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 83186537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).