6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine

C15H18BrN3O2 — CID 82807303

IUPAC6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCc2ccc(Br)cc2)c1OC
InChIInChI=1S/C15H18BrN3O2/c1-3-8-17-14-13(20-2)15(19-10-18-14)21-9-11-4-6-12(16)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyUEXBKYRTSGBGEZ-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.65
Rot. Bonds7

About 6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine

6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine (PubChem CID 82807303) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine
PubChem CID82807303
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCc2ccc(Br)cc2)c1OC
InChIInChI=1S/C15H18BrN3O2/c1-3-8-17-14-13(20-2)15(19-10-18-14)21-9-11-4-6-12(16)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyUEXBKYRTSGBGEZ-UHFFFAOYSA-N
XLogP3.65
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine
CID 104568305
4-[(4-bromophenyl)methoxy]-6-chloro-5-methoxypyrimidine
CID 82823540
6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 82825139
6-(2-cyclopropylethoxy)-5-methoxy-N-propylpyrimidin-4-amine
CID 114158214
6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine
CID 82808541
6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80864667
6-(2-cyclobutylethoxy)-5-methoxy-N-propylpyrimidin-4-amine
CID 106207740
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146882
5-nitro-6-phenylmethoxy-N-propylpyrimidin-4-amine
CID 80844165
6-(4-bromophenoxy)-5-nitro-N-propylpyrimidin-4-amine
CID 23487454
6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine
CID 106463748

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine?
The IUPAC name of 6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine (CID 82807303) is 6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine is CCCNc1ncnc(OCc2ccc(Br)cc2)c1OC.
What is the InChIKey of 6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine?
The InChIKey is UEXBKYRTSGBGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-3-8-17-14-13(20-2)15(19-10-18-14)21-9-11-4-6-12(16)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of 6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine?
6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine has a molecular weight of 352.23 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine is sourced from PubChem (CID 82807303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).