2-[(2-bromophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine

C15H18BrN3 — CID 62830547

IUPAC2-[(2-bromophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(Cc2ccccc2Br)nc(C)c1C
InChIInChI=1S/C15H18BrN3/c1-4-17-15-10(2)11(3)18-14(19-15)9-12-7-5-6-8-13(12)16/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyHYIBWXQMXABDPE-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.88
Rot. Bonds4

About 2-[(2-bromophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine

2-[(2-bromophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine (PubChem CID 62830547) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
PubChem CID62830547
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name2-[(2-bromophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(Cc2ccccc2Br)nc(C)c1C
InChIInChI=1S/C15H18BrN3/c1-4-17-15-10(2)11(3)18-14(19-15)9-12-7-5-6-8-13(12)16/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyHYIBWXQMXABDPE-UHFFFAOYSA-N
XLogP3.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine (CID 62830547) is 2-[(2-bromophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine is CCNc1nc(Cc2ccccc2Br)nc(C)c1C.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The InChIKey is HYIBWXQMXABDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-4-17-15-10(2)11(3)18-14(19-15)9-12-7-5-6-8-13(12)16/h5-8H,4,9H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[(2-bromophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
2-[(2-bromophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine has a molecular weight of 320.23 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 62830547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).