5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine

C14H24BrN3O2 — CID 116729723

IUPAC5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1nc(C(OC)C(C)(C)C)nc(COC)c1Br
InChIInChI=1S/C14H24BrN3O2/c1-7-16-12-10(15)9(8-19-5)17-13(18-12)11(20-6)14(2,3)4/h11H,7-8H2,1-6H3,(H,16,17,18)
InChIKeyZWZJFTITPFBDBX-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.55
Rot. Bonds6

About 5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine

5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 116729723) has the molecular formula C14H24BrN3O2 and a molecular weight of 346.27 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID116729723
Molecular FormulaC14H24BrN3O2
Molecular Weight346.27 g/mol
Exact Mass345.11
IUPAC Name5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1nc(C(OC)C(C)(C)C)nc(COC)c1Br
InChIInChI=1S/C14H24BrN3O2/c1-7-16-12-10(15)9(8-19-5)17-13(18-12)11(20-6)14(2,3)4/h11H,7-8H2,1-6H3,(H,16,17,18)
InChIKeyZWZJFTITPFBDBX-UHFFFAOYSA-N
XLogP3.55
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 116729574
5-bromo-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-N-methylpyrimidin-4-amine
CID 116729716
5-bromo-N-ethyl-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66299977
5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 80610799
5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66299985
5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine
CID 66296617
N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116729761
5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 66299394
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66300377
5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 66299210
5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938404
5-bromo-N-ethyl-6-(methoxymethyl)-2-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 66299391

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine (CID 116729723) is 5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine is CCNc1nc(C(OC)C(C)(C)C)nc(COC)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is ZWZJFTITPFBDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O2/c1-7-16-12-10(15)9(8-19-5)17-13(18-12)11(20-6)14(2,3)4/h11H,7-8H2,1-6H3,(H,16,17,18).
What are the key properties of 5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine?
5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 346.27 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 116729723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).