6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine

C16H20BrN3O — CID 82808450

IUPAC6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1OCc1ccccc1Br
InChIInChI=1S/C16H20BrN3O/c1-3-7-13-15(18-4-2)19-11-20-16(13)21-10-12-8-5-6-9-14(12)17/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,18,19,20)
InChIKeyZUQYUFJHEPMITN-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.20
Rot. Bonds7

About 6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine

6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine (PubChem CID 82808450) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
PubChem CID82808450
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1OCc1ccccc1Br
InChIInChI=1S/C16H20BrN3O/c1-3-7-13-15(18-4-2)19-11-20-16(13)21-10-12-8-5-6-9-14(12)17/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,18,19,20)
InChIKeyZUQYUFJHEPMITN-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-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine
CID 82825929
6-[(2-bromophenyl)methoxy]-5-propylpyrimidin-4-amine
CID 82825781
6-[(3-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
CID 82807487
6-ethoxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80858401
N-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80899023
6-[(2-bromophenyl)methoxy]-5-methoxy-N-methylpyrimidin-4-amine
CID 82826086
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine
CID 80861209
6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80861396
6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80866931
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine
CID 80890169
6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80844937
N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794971

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine (CID 82808450) is 6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine is CCCc1c(NCC)ncnc1OCc1ccccc1Br.
What is the InChIKey of 6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine?
The InChIKey is ZUQYUFJHEPMITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-3-7-13-15(18-4-2)19-11-20-16(13)21-10-12-8-5-6-9-14(12)17/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,18,19,20).
What are the key properties of 6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine?
6-[(2-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-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 82808450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).