N-methyl-1-[6-(4-methylphenyl)pyrimidin-4-yl]methanamine

C13H15N3 — CID 83849028

IUPACN-methyl-1-[6-(4-methylphenyl)pyrimidin-4-yl]methanamine
SMILESCNCc1cc(-c2ccc(C)cc2)ncn1
InChIInChI=1S/C13H15N3/c1-10-3-5-11(6-4-10)13-7-12(8-14-2)15-9-16-13/h3-7,9,14H,8H2,1-2H3
InChIKeyBMJDKLFBHFEDRP-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.17
Rot. Bonds3

About N-methyl-1-[6-(4-methylphenyl)pyrimidin-4-yl]methanamine

N-methyl-1-[6-(4-methylphenyl)pyrimidin-4-yl]methanamine (PubChem CID 83849028) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-methyl-1-[6-(4-methylphenyl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(4-methylphenyl)pyrimidin-4-yl]methanamine
PubChem CID83849028
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-methyl-1-[6-(4-methylphenyl)pyrimidin-4-yl]methanamine
SMILESCNCc1cc(-c2ccc(C)cc2)ncn1
InChIInChI=1S/C13H15N3/c1-10-3-5-11(6-4-10)13-7-12(8-14-2)15-9-16-13/h3-7,9,14H,8H2,1-2H3
InChIKeyBMJDKLFBHFEDRP-UHFFFAOYSA-N
XLogP2.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(4-methylphenyl)pyrimidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[6-(4-methylphenyl)pyrimidin-4-yl]methanamine (CID 83849028) is N-methyl-1-[6-(4-methylphenyl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(4-methylphenyl)pyrimidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-(4-methylphenyl)pyrimidin-4-yl]methanamine is CNCc1cc(-c2ccc(C)cc2)ncn1.
What is the InChIKey of N-methyl-1-[6-(4-methylphenyl)pyrimidin-4-yl]methanamine?
The InChIKey is BMJDKLFBHFEDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-3-5-11(6-4-10)13-7-12(8-14-2)15-9-16-13/h3-7,9,14H,8H2,1-2H3.
What are the key properties of N-methyl-1-[6-(4-methylphenyl)pyrimidin-4-yl]methanamine?
N-methyl-1-[6-(4-methylphenyl)pyrimidin-4-yl]methanamine has a molecular weight of 213.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(4-methylphenyl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 83849028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).