1-[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]-N-methylmethanamine

C13H14BrN3 — CID 107915528

IUPAC1-[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1ccnc(-c2ccc(C)c(Br)c2)n1
InChIInChI=1S/C13H14BrN3/c1-9-3-4-10(7-12(9)14)13-16-6-5-11(17-13)8-15-2/h3-7,15H,8H2,1-2H3
InChIKeyLLNMEGFPVUYZJT-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.93
Rot. Bonds3

About 1-[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]-N-methylmethanamine

1-[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]-N-methylmethanamine (PubChem CID 107915528) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]-N-methylmethanamine
PubChem CID107915528
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name1-[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1ccnc(-c2ccc(C)c(Br)c2)n1
InChIInChI=1S/C13H14BrN3/c1-9-3-4-10(7-12(9)14)13-16-6-5-11(17-13)8-15-2/h3-7,15H,8H2,1-2H3
InChIKeyLLNMEGFPVUYZJT-UHFFFAOYSA-N
XLogP2.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]-N-methylmethanamine (CID 107915528) is 1-[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]-N-methylmethanamine is CNCc1ccnc(-c2ccc(C)c(Br)c2)n1.
What is the InChIKey of 1-[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]-N-methylmethanamine?
The InChIKey is LLNMEGFPVUYZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-9-3-4-10(7-12(9)14)13-16-6-5-11(17-13)8-15-2/h3-7,15H,8H2,1-2H3.
What are the key properties of 1-[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]-N-methylmethanamine?
1-[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]-N-methylmethanamine has a molecular weight of 292.18 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 107915528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).