5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C12H16BrN5O — CID 114557431

IUPAC5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCCn1nccc1-c1nc(COC)c(Br)c(NC)n1
InChIInChI=1S/C12H16BrN5O/c1-4-18-9(5-6-15-18)11-16-8(7-19-3)10(13)12(14-2)17-11/h5-6H,4,7H2,1-3H3,(H,14,16,17)
InChIKeyPHKZVHKEVHRSRS-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.31
Rot. Bonds5

About 5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 114557431) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID114557431
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCCn1nccc1-c1nc(COC)c(Br)c(NC)n1
InChIInChI=1S/C12H16BrN5O/c1-4-18-9(5-6-15-18)11-16-8(7-19-3)10(13)12(14-2)17-11/h5-6H,4,7H2,1-3H3,(H,14,16,17)
InChIKeyPHKZVHKEVHRSRS-UHFFFAOYSA-N
XLogP2.31
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 114557431) is 5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CCn1nccc1-c1nc(COC)c(Br)c(NC)n1.
What is the InChIKey of 5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is PHKZVHKEVHRSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-4-18-9(5-6-15-18)11-16-8(7-19-3)10(13)12(14-2)17-11/h5-6H,4,7H2,1-3H3,(H,14,16,17).
What are the key properties of 5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 326.20 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 114557431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).