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

C14H16BrN3O — CID 82825139

IUPAC6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1OCc1ccc(Br)cc1
InChIInChI=1S/C14H16BrN3O/c1-3-12-13(16-2)17-9-18-14(12)19-8-10-4-6-11(15)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyPQSMQUSXYNZYFT-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.42
Rot. Bonds5

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

6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine (PubChem CID 82825139) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
PubChem CID82825139
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1OCc1ccc(Br)cc1
InChIInChI=1S/C14H16BrN3O/c1-3-12-13(16-2)17-9-18-14(12)19-8-10-4-6-11(15)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyPQSMQUSXYNZYFT-UHFFFAOYSA-N
XLogP3.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-6-[(4-methoxyphenyl)methoxy]-N-methylpyrimidin-4-amine
CID 80867429
6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 80876248
6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine
CID 80845675
[6-[(4-chlorophenyl)methoxy]-5-ethylpyrimidin-4-yl]hydrazine
CID 80922291
6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80882073
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
6-[(2-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 80859300
4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80793896
[5-ethyl-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]hydrazine
CID 80913387
6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine
CID 82808541
5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880121
6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine
CID 82807303

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine (CID 82825139) is 6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine is CCc1c(NC)ncnc1OCc1ccc(Br)cc1.
What is the InChIKey of 6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is PQSMQUSXYNZYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-3-12-13(16-2)17-9-18-14(12)19-8-10-4-6-11(15)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,16,17,18).
What are the key properties of 6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine?
6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 82825139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).