5-bromo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

C13H18BrN5O — CID 66296998

IUPAC5-bromo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2c(C)nn(C)c2C)nc(COC)c1Br
InChIInChI=1S/C13H18BrN5O/c1-7-10(8(2)19(4)18-7)12-16-9(6-20-5)11(14)13(15-3)17-12/h6H2,1-5H3,(H,15,16,17)
InChIKeyZWHHTCHKMZIVRN-UHFFFAOYSA-N
MW340.23 g/mol
LogP2.44
Rot. Bonds4

About 5-bromo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

5-bromo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 66296998) has the molecular formula C13H18BrN5O and a molecular weight of 340.23 g/mol. Its IUPAC name is 5-bromo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID66296998
Molecular FormulaC13H18BrN5O
Molecular Weight340.23 g/mol
Exact Mass339.07
IUPAC Name5-bromo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2c(C)nn(C)c2C)nc(COC)c1Br
InChIInChI=1S/C13H18BrN5O/c1-7-10(8(2)19(4)18-7)12-16-9(6-20-5)11(14)13(15-3)17-12/h6H2,1-5H3,(H,15,16,17)
InChIKeyZWHHTCHKMZIVRN-UHFFFAOYSA-N
XLogP2.44
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (CID 66296998) is 5-bromo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is CNc1nc(-c2c(C)nn(C)c2C)nc(COC)c1Br.
What is the InChIKey of 5-bromo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is ZWHHTCHKMZIVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O/c1-7-10(8(2)19(4)18-7)12-16-9(6-20-5)11(14)13(15-3)17-12/h6H2,1-5H3,(H,15,16,17).
What are the key properties of 5-bromo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
5-bromo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 340.23 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66296998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).