5-bromo-N-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine

C11H12BrN5O — CID 103375046

IUPAC5-bromo-N-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(OC)nn2)ncc1Br
InChIInChI=1S/C11H12BrN5O/c1-3-13-10-7(12)6-14-11(15-10)8-4-5-9(18-2)17-16-8/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyAFAQTDDTYKNOAC-UHFFFAOYSA-N
MW310.16 g/mol
LogP2.14
Rot. Bonds4

About 5-bromo-N-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine

5-bromo-N-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine (PubChem CID 103375046) has the molecular formula C11H12BrN5O and a molecular weight of 310.16 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine
PubChem CID103375046
Molecular FormulaC11H12BrN5O
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC Name5-bromo-N-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(OC)nn2)ncc1Br
InChIInChI=1S/C11H12BrN5O/c1-3-13-10-7(12)6-14-11(15-10)8-4-5-9(18-2)17-16-8/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyAFAQTDDTYKNOAC-UHFFFAOYSA-N
XLogP2.14
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine
CID 79717868
5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine
CID 66296065
5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine
CID 66301850
N-ethyl-3-(6-methoxypyridazin-3-yl)-1,2,4-thiadiazol-5-amine
CID 103375416
5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938404
5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine
CID 66295486
5-(chloromethyl)-4-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidine
CID 114205394
5-bromo-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine
CID 66295874
5-bromo-2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine
CID 79980210
2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde
CID 103375163
4-chloro-5-iodo-2-(6-methoxypyridazin-3-yl)pyrimidine
CID 103373064
N-[[2-(6-methoxypyridazin-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 103375185

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine (CID 103375046) is 5-bromo-N-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine is CCNc1nc(-c2ccc(OC)nn2)ncc1Br.
What is the InChIKey of 5-bromo-N-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine?
The InChIKey is AFAQTDDTYKNOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O/c1-3-13-10-7(12)6-14-11(15-10)8-4-5-9(18-2)17-16-8/h4-6H,3H2,1-2H3,(H,13,14,15).
What are the key properties of 5-bromo-N-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine?
5-bromo-N-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine has a molecular weight of 310.16 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 103375046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).