2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)propan-2-amine

C9H14BrN3O2 — CID 83866878

IUPAC2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)propan-2-amine
SMILESCOc1nc(OC)c(Br)c(C(C)(C)N)n1
InChIInChI=1S/C9H14BrN3O2/c1-9(2,11)6-5(10)7(14-3)13-8(12-6)15-4/h11H2,1-4H3
InChIKeyHGRYUHANVKTIRX-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.45
Rot. Bonds3

About 2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)propan-2-amine

2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)propan-2-amine (PubChem CID 83866878) has the molecular formula C9H14BrN3O2 and a molecular weight of 276.13 g/mol. Its IUPAC name is 2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)propan-2-amine.

Molecular Properties

Compound Name2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)propan-2-amine
PubChem CID83866878
Molecular FormulaC9H14BrN3O2
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Name2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)propan-2-amine
SMILESCOc1nc(OC)c(Br)c(C(C)(C)N)n1
InChIInChI=1S/C9H14BrN3O2/c1-9(2,11)6-5(10)7(14-3)13-8(12-6)15-4/h11H2,1-4H3
InChIKeyHGRYUHANVKTIRX-UHFFFAOYSA-N
XLogP1.45
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)ethanol
CID 83866891
5-fluoro-2,4,6-trimethoxypyrimidine
CID 71349957
7-bromo-2,4-dimethoxythieno[3,2-d]pyrimidine
CID 67965699
4-bromo-1-tert-butyl-3,5-dimethoxypyrazole
CID 147500583
trimethyl-(2,4,6-trimethoxypyrimidin-5-yl)silane
CID 14615104
2,4-dimethoxy-5,6-dimethylpyrimidine
CID 11378723
1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine
CID 80752764
2-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-2-amine
CID 82412489
5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine
CID 83867203
4-bromo-1-tert-butyl-5-(difluoromethyl)-3-methoxypyrazole
CID 153449588
5-bromo-3-methoxy-1,2,4-thiadiazole
CID 83879207
5-bromo-1-tert-butyl-4-chloro-3-methoxypyrazole
CID 153449714

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)propan-2-amine?
The IUPAC name of 2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)propan-2-amine (CID 83866878) is 2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)propan-2-amine.
What is the SMILES notation for 2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)propan-2-amine?
The canonical SMILES for 2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)propan-2-amine is COc1nc(OC)c(Br)c(C(C)(C)N)n1.
What is the InChIKey of 2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)propan-2-amine?
The InChIKey is HGRYUHANVKTIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2/c1-9(2,11)6-5(10)7(14-3)13-8(12-6)15-4/h11H2,1-4H3.
What are the key properties of 2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)propan-2-amine?
2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)propan-2-amine has a molecular weight of 276.13 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)propan-2-amine is sourced from PubChem (CID 83866878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).