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

C16H20BrN3O — CID 82807487

IUPAC6-[(3-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1OCc1cccc(Br)c1
InChIInChI=1S/C16H20BrN3O/c1-3-6-14-15(18-4-2)19-11-20-16(14)21-10-12-7-5-8-13(17)9-12/h5,7-9,11H,3-4,6,10H2,1-2H3,(H,18,19,20)
InChIKeyIEKSVNFOBZNOLL-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.20
Rot. Bonds7

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

6-[(3-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine (PubChem CID 82807487) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 6-[(3-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
PubChem CID82807487
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name6-[(3-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1OCc1cccc(Br)c1
InChIInChI=1S/C16H20BrN3O/c1-3-6-14-15(18-4-2)19-11-20-16(14)21-10-12-7-5-8-13(17)9-12/h5,7-9,11H,3-4,6,10H2,1-2H3,(H,18,19,20)
InChIKeyIEKSVNFOBZNOLL-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]-5-ethyl-N-propylpyrimidin-4-amine
CID 82808541
6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
CID 82808450
6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine
CID 115504003
N-[(3-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63729624
6-ethoxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80858401
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794434
6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80869818
N-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine
CID 80881870
3-[(3-bromophenyl)methoxymethyl]-N-ethylpyridin-2-amine
CID 82831980
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine
CID 80861209
6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine
CID 82825929
6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80866931

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-[(3-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine (CID 82807487) is 6-[(3-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-[(3-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine is CCCc1c(NCC)ncnc1OCc1cccc(Br)c1.
What is the InChIKey of 6-[(3-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine?
The InChIKey is IEKSVNFOBZNOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-3-6-14-15(18-4-2)19-11-20-16(14)21-10-12-7-5-8-13(17)9-12/h5,7-9,11H,3-4,6,10H2,1-2H3,(H,18,19,20).
What are the key properties of 6-[(3-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine?
6-[(3-bromophenyl)methoxy]-N-ethyl-5-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]-N-ethyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 82807487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).