5-bromo-2-(2-ethoxybutan-2-yl)-N,6-diethylpyrimidin-4-amine

C14H24BrN3O — CID 116776781

IUPAC5-bromo-2-(2-ethoxybutan-2-yl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1nc(C(C)(CC)OCC)nc(CC)c1Br
InChIInChI=1S/C14H24BrN3O/c1-6-10-11(15)12(16-8-3)18-13(17-10)14(5,7-2)19-9-4/h6-9H2,1-5H3,(H,16,17,18)
InChIKeyBYTJSTJRRGKFIU-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.89
Rot. Bonds7

About 5-bromo-2-(2-ethoxybutan-2-yl)-N,6-diethylpyrimidin-4-amine

5-bromo-2-(2-ethoxybutan-2-yl)-N,6-diethylpyrimidin-4-amine (PubChem CID 116776781) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is 5-bromo-2-(2-ethoxybutan-2-yl)-N,6-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-ethoxybutan-2-yl)-N,6-diethylpyrimidin-4-amine
PubChem CID116776781
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name5-bromo-2-(2-ethoxybutan-2-yl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1nc(C(C)(CC)OCC)nc(CC)c1Br
InChIInChI=1S/C14H24BrN3O/c1-6-10-11(15)12(16-8-3)18-13(17-10)14(5,7-2)19-9-4/h6-9H2,1-5H3,(H,16,17,18)
InChIKeyBYTJSTJRRGKFIU-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxybutan-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 116776679
5-bromo-2-(2-ethoxypropan-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116729553
5-bromo-2-(3-ethoxypentan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine
CID 116776495
5-bromo-6-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine
CID 116776732
5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 116729389
5-bromo-6-cyclopropyl-N-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine
CID 116777186
5-bromo-N,6-diethyl-2-phenylpyrimidin-4-amine
CID 66301217
2-(2-ethoxybutan-2-yl)-N-ethyl-6-methylpyrimidin-4-amine
CID 116775799
2-(2-ethoxybutan-2-yl)-5-iodo-6-propylpyrimidin-4-amine
CID 116776658
5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
CID 66298665
N-ethyl-5-iodo-2-(2-methoxybutan-2-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116777004
5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 66307012

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-ethoxybutan-2-yl)-N,6-diethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-ethoxybutan-2-yl)-N,6-diethylpyrimidin-4-amine (CID 116776781) is 5-bromo-2-(2-ethoxybutan-2-yl)-N,6-diethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-ethoxybutan-2-yl)-N,6-diethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-ethoxybutan-2-yl)-N,6-diethylpyrimidin-4-amine is CCNc1nc(C(C)(CC)OCC)nc(CC)c1Br.
What is the InChIKey of 5-bromo-2-(2-ethoxybutan-2-yl)-N,6-diethylpyrimidin-4-amine?
The InChIKey is BYTJSTJRRGKFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-6-10-11(15)12(16-8-3)18-13(17-10)14(5,7-2)19-9-4/h6-9H2,1-5H3,(H,16,17,18).
What are the key properties of 5-bromo-2-(2-ethoxybutan-2-yl)-N,6-diethylpyrimidin-4-amine?
5-bromo-2-(2-ethoxybutan-2-yl)-N,6-diethylpyrimidin-4-amine has a molecular weight of 330.27 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-ethoxybutan-2-yl)-N,6-diethylpyrimidin-4-amine is sourced from PubChem (CID 116776781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).