5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine

C14H20BrN5O — CID 66296617

IUPAC5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2cncn2C(C)C)nc(COC)c1Br
InChIInChI=1S/C14H20BrN5O/c1-5-17-14-12(15)10(7-21-4)18-13(19-14)11-6-16-8-20(11)9(2)3/h6,8-9H,5,7H2,1-4H3,(H,17,18,19)
InChIKeyVKELMJDYULXDQY-UHFFFAOYSA-N
MW354.25 g/mol
LogP3.26
Rot. Bonds6

About 5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine

5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine (PubChem CID 66296617) has the molecular formula C14H20BrN5O and a molecular weight of 354.25 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine
PubChem CID66296617
Molecular FormulaC14H20BrN5O
Molecular Weight354.25 g/mol
Exact Mass353.09
IUPAC Name5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2cncn2C(C)C)nc(COC)c1Br
InChIInChI=1S/C14H20BrN5O/c1-5-17-14-12(15)10(7-21-4)18-13(19-14)11-6-16-8-20(11)9(2)3/h6,8-9H,5,7H2,1-4H3,(H,17,18,19)
InChIKeyVKELMJDYULXDQY-UHFFFAOYSA-N
XLogP3.26
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-ethyl-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine
CID 66304442
5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66299985
5-bromo-2-(3-cyclopropylimidazol-4-yl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66295755
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
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
N-ethyl-3-(3-propan-2-ylimidazol-4-yl)pyrazin-2-amine
CID 112559312
5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116729723
5-bromo-2-(3-methylimidazol-4-yl)-N,6-dipropylpyrimidin-4-amine
CID 66296529
5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 66299210
5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methylimidazol-4-yl)pyrimidine
CID 66311885

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine (CID 66296617) is 5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine is CCNc1nc(-c2cncn2C(C)C)nc(COC)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine?
The InChIKey is VKELMJDYULXDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5O/c1-5-17-14-12(15)10(7-21-4)18-13(19-14)11-6-16-8-20(11)9(2)3/h6,8-9H,5,7H2,1-4H3,(H,17,18,19).
What are the key properties of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine?
5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine has a molecular weight of 354.25 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66296617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).