6-[(3-bromophenyl)methoxy]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

C16H20BrN3O — CID 82807711

IUPAC6-[(3-bromophenyl)methoxy]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(OCc2cccc(Br)c2)c1C
InChIInChI=1S/C16H20BrN3O/c1-10(2)14-19-15(18-4)11(3)16(20-14)21-9-12-6-5-7-13(17)8-12/h5-8,10H,9H2,1-4H3,(H,18,19,20)
InChIKeyKUWAUUTTWQULTP-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.29
Rot. Bonds5

About 6-[(3-bromophenyl)methoxy]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

6-[(3-bromophenyl)methoxy]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 82807711) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 6-[(3-bromophenyl)methoxy]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-bromophenyl)methoxy]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID82807711
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name6-[(3-bromophenyl)methoxy]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(OCc2cccc(Br)c2)c1C
InChIInChI=1S/C16H20BrN3O/c1-10(2)14-19-15(18-4)11(3)16(20-14)21-9-12-6-5-7-13(17)8-12/h5-8,10H,9H2,1-4H3,(H,18,19,20)
InChIKeyKUWAUUTTWQULTP-UHFFFAOYSA-N
XLogP4.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 107287481
[6-[(3-bromophenyl)methoxy]-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 82825316
2-[(3-bromophenyl)methoxy]-3-chloro-5,6-dimethylpyrazine
CID 82824481
N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 82832222
N,5-dimethyl-2-propan-2-yl-6-(2-propoxyethoxy)pyrimidin-4-amine
CID 80990512
6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980846
3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]oxybenzonitrile
CID 80988952
4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine
CID 82824304
3-[(3-bromophenyl)methoxy]-2-methylaniline
CID 43437900
4,5-dimethyl-6-[(4-methylphenyl)methoxy]-2-propan-2-ylpyrimidine
CID 95922920
[2-[(3-bromophenyl)methoxy]-4-methyl-3-pyridinyl]methanamine
CID 82827715
4-[(3-bromophenyl)methyl]-6-propan-2-yl-1,3,5-triazin-2-amine
CID 55251813

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenyl)methoxy]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[(3-bromophenyl)methoxy]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (CID 82807711) is 6-[(3-bromophenyl)methoxy]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3-bromophenyl)methoxy]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[(3-bromophenyl)methoxy]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is CNc1nc(C(C)C)nc(OCc2cccc(Br)c2)c1C.
What is the InChIKey of 6-[(3-bromophenyl)methoxy]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is KUWAUUTTWQULTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-10(2)14-19-15(18-4)11(3)16(20-14)21-9-12-6-5-7-13(17)8-12/h5-8,10H,9H2,1-4H3,(H,18,19,20).
What are the key properties of 6-[(3-bromophenyl)methoxy]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
6-[(3-bromophenyl)methoxy]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 4.29, 5 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,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 82807711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).