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

C16H21N3 — CID 62746574

IUPACN-[[6-methyl-2-(2-methylphenyl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)nc(-c2ccccc2C)n1
InChIInChI=1S/C16H21N3/c1-11(2)17-10-14-9-13(4)18-16(19-14)15-8-6-5-7-12(15)3/h5-9,11,17H,10H2,1-4H3
InChIKeyXXMQNJVPDFPUDF-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.26
Rot. Bonds4

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

N-[[6-methyl-2-(2-methylphenyl)pyrimidin-4-yl]methyl]propan-2-amine (PubChem CID 62746574) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[[6-methyl-2-(2-methylphenyl)pyrimidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-methyl-2-(2-methylphenyl)pyrimidin-4-yl]methyl]propan-2-amine
PubChem CID62746574
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[[6-methyl-2-(2-methylphenyl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)nc(-c2ccccc2C)n1
InChIInChI=1S/C16H21N3/c1-11(2)17-10-14-9-13(4)18-16(19-14)15-8-6-5-7-12(15)3/h5-9,11,17H,10H2,1-4H3
InChIKeyXXMQNJVPDFPUDF-UHFFFAOYSA-N
XLogP3.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-2-(2-methylphenyl)pyrimidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-methyl-2-(2-methylphenyl)pyrimidin-4-yl]methyl]propan-2-amine (CID 62746574) is N-[[6-methyl-2-(2-methylphenyl)pyrimidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-methyl-2-(2-methylphenyl)pyrimidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-methyl-2-(2-methylphenyl)pyrimidin-4-yl]methyl]propan-2-amine is Cc1cc(CNC(C)C)nc(-c2ccccc2C)n1.
What is the InChIKey of N-[[6-methyl-2-(2-methylphenyl)pyrimidin-4-yl]methyl]propan-2-amine?
The InChIKey is XXMQNJVPDFPUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11(2)17-10-14-9-13(4)18-16(19-14)15-8-6-5-7-12(15)3/h5-9,11,17H,10H2,1-4H3.
What are the key properties of N-[[6-methyl-2-(2-methylphenyl)pyrimidin-4-yl]methyl]propan-2-amine?
N-[[6-methyl-2-(2-methylphenyl)pyrimidin-4-yl]methyl]propan-2-amine has a molecular weight of 255.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-2-(2-methylphenyl)pyrimidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62746574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).