5-bromo-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-N-methylpyrimidin-4-amine

C12H20BrN3O2 — CID 116729716

IUPAC5-bromo-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(C(OC)C(C)C)nc(COC)c1Br
InChIInChI=1S/C12H20BrN3O2/c1-7(2)10(18-5)12-15-8(6-17-4)9(13)11(14-3)16-12/h7,10H,6H2,1-5H3,(H,14,15,16)
InChIKeyKCPIFOMPERYQTR-UHFFFAOYSA-N
MW318.22 g/mol
LogP2.77
Rot. Bonds6

About 5-bromo-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-N-methylpyrimidin-4-amine

5-bromo-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-N-methylpyrimidin-4-amine (PubChem CID 116729716) has the molecular formula C12H20BrN3O2 and a molecular weight of 318.22 g/mol. Its IUPAC name is 5-bromo-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-N-methylpyrimidin-4-amine
PubChem CID116729716
Molecular FormulaC12H20BrN3O2
Molecular Weight318.22 g/mol
Exact Mass317.07
IUPAC Name5-bromo-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(C(OC)C(C)C)nc(COC)c1Br
InChIInChI=1S/C12H20BrN3O2/c1-7(2)10(18-5)12-15-8(6-17-4)9(13)11(14-3)16-12/h7,10H,6H2,1-5H3,(H,14,15,16)
InChIKeyKCPIFOMPERYQTR-UHFFFAOYSA-N
XLogP2.77
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-(methoxymethyl)-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
CID 66298207
5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116730006
5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine
CID 116729353
5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116729723
5-bromo-2-(1-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 116729394
5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66299387
5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 80609914
N-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine
CID 116729449
2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116729749
5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66300961
5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116729550
5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 116776623

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-N-methylpyrimidin-4-amine (CID 116729716) is 5-bromo-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-N-methylpyrimidin-4-amine is CNc1nc(C(OC)C(C)C)nc(COC)c1Br.
What is the InChIKey of 5-bromo-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-N-methylpyrimidin-4-amine?
The InChIKey is KCPIFOMPERYQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O2/c1-7(2)10(18-5)12-15-8(6-17-4)9(13)11(14-3)16-12/h7,10H,6H2,1-5H3,(H,14,15,16).
What are the key properties of 5-bromo-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-N-methylpyrimidin-4-amine?
5-bromo-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-N-methylpyrimidin-4-amine has a molecular weight of 318.22 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 116729716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).