5-bromo-2-(3-ethoxypentan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine

C14H24BrN3O — CID 116776495

IUPAC5-bromo-2-(3-ethoxypentan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(C(CC)(CC)OCC)nc(C)c1Br
InChIInChI=1S/C14H24BrN3O/c1-6-14(7-2,19-9-4)13-17-10(5)11(15)12(18-13)16-8-3/h6-9H2,1-5H3,(H,16,17,18)
InChIKeyGHTJPFCXXAXGFS-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.03
Rot. Bonds7

About 5-bromo-2-(3-ethoxypentan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine

5-bromo-2-(3-ethoxypentan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 116776495) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is 5-bromo-2-(3-ethoxypentan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-ethoxypentan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID116776495
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name5-bromo-2-(3-ethoxypentan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(C(CC)(CC)OCC)nc(C)c1Br
InChIInChI=1S/C14H24BrN3O/c1-6-14(7-2,19-9-4)13-17-10(5)11(15)12(18-13)16-8-3/h6-9H2,1-5H3,(H,16,17,18)
InChIKeyGHTJPFCXXAXGFS-UHFFFAOYSA-N
XLogP4.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine
CID 116776475
2-(3-ethoxypentan-3-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 116775839
5-bromo-N-ethyl-2-(2-methoxypropan-2-yl)-6-methylpyrimidin-4-amine
CID 79196793
5-bromo-2-(2-ethoxypropan-2-yl)-N,6-dimethylpyrimidin-4-amine
CID 116729311
2-(3-ethoxypentan-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 116776545
5-bromo-2-(2-ethoxybutan-2-yl)-N,6-diethylpyrimidin-4-amine
CID 116776781
2-[2-(3-ethoxypentan-3-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 116779353
5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 66307012
4-chloro-2-(3-ethoxypentan-3-yl)-5-iodo-6-methylpyrimidine
CID 116746099
5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66306280
5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 116729389
5-bromo-2-(2-ethoxypropan-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116729553

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-ethoxypentan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-ethoxypentan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine (CID 116776495) is 5-bromo-2-(3-ethoxypentan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-ethoxypentan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-ethoxypentan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine is CCNc1nc(C(CC)(CC)OCC)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(3-ethoxypentan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is GHTJPFCXXAXGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-6-14(7-2,19-9-4)13-17-10(5)11(15)12(18-13)16-8-3/h6-9H2,1-5H3,(H,16,17,18).
What are the key properties of 5-bromo-2-(3-ethoxypentan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine?
5-bromo-2-(3-ethoxypentan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 330.27 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-ethoxypentan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 116776495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).