6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine

C11H15BrN6O — CID 106463748

IUPAC6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2c(Br)nnn2C)c1OC
InChIInChI=1S/C11H15BrN6O/c1-4-5-13-11-9(19-3)7(14-6-15-11)8-10(12)16-17-18(8)2/h6H,4-5H2,1-3H3,(H,13,14,15)
InChIKeySXDBWPUQGYYDQM-UHFFFAOYSA-N
MW327.19 g/mol
LogP1.87
Rot. Bonds5

About 6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine

6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine (PubChem CID 106463748) has the molecular formula C11H15BrN6O and a molecular weight of 327.19 g/mol. Its IUPAC name is 6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine
PubChem CID106463748
Molecular FormulaC11H15BrN6O
Molecular Weight327.19 g/mol
Exact Mass326.05
IUPAC Name6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2c(Br)nnn2C)c1OC
InChIInChI=1S/C11H15BrN6O/c1-4-5-13-11-9(19-3)7(14-6-15-11)8-10(12)16-17-18(8)2/h6H,4-5H2,1-3H3,(H,13,14,15)
InChIKeySXDBWPUQGYYDQM-UHFFFAOYSA-N
XLogP1.87
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methoxy-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
CID 103341833
N-ethyl-5-methoxy-6-(3-propyltriazol-4-yl)pyrimidin-4-amine
CID 114691125
5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine
CID 104568305
6-(3-chloro-5-fluorophenyl)-5-methoxy-N-propylpyrimidin-4-amine
CID 115504768
6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine
CID 82807303
5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146882
2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241876
6-(2-cyclopropylethoxy)-5-methoxy-N-propylpyrimidin-4-amine
CID 114158214
5-methoxy-4-N-[(2-methylcyclopropyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 113464276
6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine
CID 113324652
5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine
CID 113467587
N-[3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332310

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine (CID 106463748) is 6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine is CCCNc1ncnc(-c2c(Br)nnn2C)c1OC.
What is the InChIKey of 6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine?
The InChIKey is SXDBWPUQGYYDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN6O/c1-4-5-13-11-9(19-3)7(14-6-15-11)8-10(12)16-17-18(8)2/h6H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine?
6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine has a molecular weight of 327.19 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine is sourced from PubChem (CID 106463748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).