6-(3-bromophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine

C15H16BrN3O — CID 80988395

IUPAC6-(3-bromophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(Oc2cccc(Br)c2)c1C
InChIInChI=1S/C15H16BrN3O/c1-9-13(17-2)18-14(10-6-7-10)19-15(9)20-12-5-3-4-11(16)8-12/h3-5,8,10H,6-7H2,1-2H3,(H,17,18,19)
InChIKeyOZFRCCUXFMPDSM-UHFFFAOYSA-N
MW334.22 g/mol
LogP4.26
Rot. Bonds4

About 6-(3-bromophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine

6-(3-bromophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80988395) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 6-(3-bromophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80988395
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name6-(3-bromophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(Oc2cccc(Br)c2)c1C
InChIInChI=1S/C15H16BrN3O/c1-9-13(17-2)18-14(10-6-7-10)19-15(9)20-12-5-3-4-11(16)8-12/h3-5,8,10H,6-7H2,1-2H3,(H,17,18,19)
InChIKeyOZFRCCUXFMPDSM-UHFFFAOYSA-N
XLogP4.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(5-bromo-3-pyridinyl)oxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80990278
6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80990914
2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988724
[6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001078
[3-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 81000736
[2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 81000209
2-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80988463
2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 80988620
6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965597
2-cyclopropyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988574
2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine
CID 80988065
2-cyclopropyl-N,5-dimethyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80990031

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine (CID 80988395) is 6-(3-bromophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine is CNc1nc(C2CC2)nc(Oc2cccc(Br)c2)c1C.
What is the InChIKey of 6-(3-bromophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is OZFRCCUXFMPDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-9-13(17-2)18-14(10-6-7-10)19-15(9)20-12-5-3-4-11(16)8-12/h3-5,8,10H,6-7H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(3-bromophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
6-(3-bromophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 334.22 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80988395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).