5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine

C12H14BrN5O — CID 103375014

IUPAC5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(OC)nn2)nc(N)c1Br
InChIInChI=1S/C12H14BrN5O/c1-3-4-7-10(13)11(14)16-12(15-7)8-5-6-9(19-2)18-17-8/h5-6H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyVJCAJUHPJQATNR-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.24
Rot. Bonds4

About 5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine

5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine (PubChem CID 103375014) has the molecular formula C12H14BrN5O and a molecular weight of 324.18 g/mol. Its IUPAC name is 5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine
PubChem CID103375014
Molecular FormulaC12H14BrN5O
Molecular Weight324.18 g/mol
Exact Mass323.04
IUPAC Name5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(OC)nn2)nc(N)c1Br
InChIInChI=1S/C12H14BrN5O/c1-3-4-7-10(13)11(14)16-12(15-7)8-5-6-9(19-2)18-17-8/h5-6H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyVJCAJUHPJQATNR-UHFFFAOYSA-N
XLogP2.24
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine
CID 103375038
6-ethyl-2-(6-methoxypyridazin-3-yl)-5-methylpyrimidin-4-amine
CID 103375000
5-bromo-6-propyl-2-quinolin-2-ylpyrimidin-4-amine
CID 66306932
5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66295747
5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine
CID 115528480
5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine
CID 66307530
2-(6-methoxypyridazin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103374994
5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-propylpyrimidine
CID 103347902
5-bromo-2-[2-(difluoromethoxy)phenyl]-6-propylpyrimidin-4-amine
CID 66295361
5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine
CID 116776608
5-bromo-2-imidazo[1,2-a]pyridin-2-yl-6-propylpyrimidin-4-amine
CID 66297292
5-bromo-2-(4-bromo-2-methylphenyl)-6-propylpyrimidin-4-amine
CID 103083787

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine (CID 103375014) is 5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine is CCCc1nc(-c2ccc(OC)nn2)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine?
The InChIKey is VJCAJUHPJQATNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O/c1-3-4-7-10(13)11(14)16-12(15-7)8-5-6-9(19-2)18-17-8/h5-6H,3-4H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine?
5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine has a molecular weight of 324.18 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 103375014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).