5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine

C13H22BrN3O — CID 116729389

IUPAC5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(C)(C)OCC)nc(NC)c1Br
InChIInChI=1S/C13H22BrN3O/c1-6-8-9-10(14)11(15-5)17-12(16-9)13(3,4)18-7-2/h6-8H2,1-5H3,(H,15,16,17)
InChIKeyCMUGTJXRNMNURB-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.50
Rot. Bonds6

About 5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine

5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 116729389) has the molecular formula C13H22BrN3O and a molecular weight of 316.24 g/mol. Its IUPAC name is 5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine
PubChem CID116729389
Molecular FormulaC13H22BrN3O
Molecular Weight316.24 g/mol
Exact Mass315.09
IUPAC Name5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(C)(C)OCC)nc(NC)c1Br
InChIInChI=1S/C13H22BrN3O/c1-6-8-9-10(14)11(15-5)17-12(16-9)13(3,4)18-7-2/h6-8H2,1-5H3,(H,15,16,17)
InChIKeyCMUGTJXRNMNURB-UHFFFAOYSA-N
XLogP3.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(2-ethoxypropan-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116729553
5-bromo-2-(2-ethoxypropan-2-yl)-N,6-dimethylpyrimidin-4-amine
CID 116729311
5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66305753
5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine
CID 66306541
5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66307745
5-bromo-N-methyl-2-pentan-3-yl-6-propylpyrimidin-4-amine
CID 66296714
2-(2-ethoxypropan-2-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728926
5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine
CID 116776475
5-bromo-2-(1-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 116729394
5-bromo-2-(2-ethoxybutan-2-yl)-N,6-diethylpyrimidin-4-amine
CID 116776781
2-(2-ethoxybutan-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 116776679
2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine
CID 66307142

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine (CID 116729389) is 5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(C(C)(C)OCC)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is CMUGTJXRNMNURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O/c1-6-8-9-10(14)11(15-5)17-12(16-9)13(3,4)18-7-2/h6-8H2,1-5H3,(H,15,16,17).
What are the key properties of 5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine?
5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 316.24 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 116729389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).