6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine

C16H20BrN3O — CID 82808541

IUPAC6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCc2cccc(Br)c2)c1CC
InChIInChI=1S/C16H20BrN3O/c1-3-8-18-15-14(4-2)16(20-11-19-15)21-10-12-6-5-7-13(17)9-12/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,19,20)
InChIKeyDKPUQRIWQNPFFX-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.20
Rot. Bonds7

About 6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine

6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine (PubChem CID 82808541) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine
PubChem CID82808541
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCc2cccc(Br)c2)c1CC
InChIInChI=1S/C16H20BrN3O/c1-3-8-18-15-14(4-2)16(20-11-19-15)21-10-12-6-5-7-13(17)9-12/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,19,20)
InChIKeyDKPUQRIWQNPFFX-UHFFFAOYSA-N
XLogP4.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
CID 82807487
4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80760427
6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 80876248
6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 82825139
6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine
CID 82807303
4-[(3-bromophenyl)methoxy]-N-propylpyrimidin-2-amine
CID 82825921
6-(3-chlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80869356
5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
CID 80859758
[6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine
CID 80915780
6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine
CID 82825929
[2-[(3-bromophenyl)methoxy]-4-methyl-3-pyridinyl]methanamine
CID 82827715
6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80875220

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine (CID 82808541) is 6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(OCc2cccc(Br)c2)c1CC.
What is the InChIKey of 6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine?
The InChIKey is DKPUQRIWQNPFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-3-8-18-15-14(4-2)16(20-11-19-15)21-10-12-6-5-7-13(17)9-12/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,19,20).
What are the key properties of 6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine?
6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 82808541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).