5-bromo-6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)pyrimidin-4-amine

C10H12BrN5O — CID 66299373

IUPAC5-bromo-6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)pyrimidin-4-amine
SMILESCOCc1nc(-c2ccn(C)n2)nc(N)c1Br
InChIInChI=1S/C10H12BrN5O/c1-16-4-3-6(15-16)10-13-7(5-17-2)8(11)9(12)14-10/h3-4H,5H2,1-2H3,(H2,12,13,14)
InChIKeyCDRAPAVWKGGYKO-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.37
Rot. Bonds3

About 5-bromo-6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)pyrimidin-4-amine

5-bromo-6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)pyrimidin-4-amine (PubChem CID 66299373) has the molecular formula C10H12BrN5O and a molecular weight of 298.14 g/mol. Its IUPAC name is 5-bromo-6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)pyrimidin-4-amine
PubChem CID66299373
Molecular FormulaC10H12BrN5O
Molecular Weight298.14 g/mol
Exact Mass297.02
IUPAC Name5-bromo-6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)pyrimidin-4-amine
SMILESCOCc1nc(-c2ccn(C)n2)nc(N)c1Br
InChIInChI=1S/C10H12BrN5O/c1-16-4-3-6(15-16)10-13-7(5-17-2)8(11)9(12)14-10/h3-4H,5H2,1-2H3,(H2,12,13,14)
InChIKeyCDRAPAVWKGGYKO-UHFFFAOYSA-N
XLogP1.37
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.37
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)-2-(1-methylpyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)pyrimidin-4-amine (CID 66299373) is 5-bromo-6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)pyrimidin-4-amine is COCc1nc(-c2ccn(C)n2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is CDRAPAVWKGGYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O/c1-16-4-3-6(15-16)10-13-7(5-17-2)8(11)9(12)14-10/h3-4H,5H2,1-2H3,(H2,12,13,14).
What are the key properties of 5-bromo-6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)pyrimidin-4-amine?
5-bromo-6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 298.14 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 66299373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).