6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine

C15H18BrN3O — CID 82825929

IUPAC6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(OCc2ccccc2Br)c1CC
InChIInChI=1S/C15H18BrN3O/c1-3-12-14(17-4-2)18-10-19-15(12)20-9-11-7-5-6-8-13(11)16/h5-8,10H,3-4,9H2,1-2H3,(H,17,18,19)
InChIKeyCDYHLMSGXJAWRQ-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.81
Rot. Bonds6

About 6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine

6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine (PubChem CID 82825929) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine
PubChem CID82825929
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(OCc2ccccc2Br)c1CC
InChIInChI=1S/C15H18BrN3O/c1-3-12-14(17-4-2)18-10-19-15(12)20-9-11-7-5-6-8-13(11)16/h5-8,10H,3-4,9H2,1-2H3,(H,17,18,19)
InChIKeyCDYHLMSGXJAWRQ-UHFFFAOYSA-N
XLogP3.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
CID 82808450
6-[(2-bromophenyl)methoxy]-5-propylpyrimidin-4-amine
CID 82825781
6-[(2-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 80859300
6-[(2-bromophenyl)methoxy]-5-methoxy-N-methylpyrimidin-4-amine
CID 82826086
N,5-diethyl-6-heptoxypyrimidin-4-amine
CID 80862239
6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80844937
6-[(3-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
CID 82807487
6-[(E)-but-2-enoxy]-N,5-diethylpyrimidin-4-amine
CID 80872166
6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 82825139
6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine
CID 82808541
6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine
CID 80877477
N,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine
CID 104568314

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine?
The IUPAC name of 6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine (CID 82825929) is 6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine?
The canonical SMILES for 6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine is CCNc1ncnc(OCc2ccccc2Br)c1CC.
What is the InChIKey of 6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine?
The InChIKey is CDYHLMSGXJAWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-3-12-14(17-4-2)18-10-19-15(12)20-9-11-7-5-6-8-13(11)16/h5-8,10H,3-4,9H2,1-2H3,(H,17,18,19).
What are the key properties of 6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine?
6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine has a molecular weight of 336.23 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine is sourced from PubChem (CID 82825929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).