5-bromo-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpyrimidin-4-amine

C13H17BrN6O — CID 53467399

IUPAC5-bromo-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpyrimidin-4-amine
SMILESCOC[C@H]1CCCN1c1nc(-n2cccn2)nc(N)c1Br
InChIInChI=1S/C13H17BrN6O/c1-21-8-9-4-2-6-19(9)12-10(14)11(15)17-13(18-12)20-7-3-5-16-20/h3,5,7,9H,2,4,6,8H2,1H3,(H2,15,17,18)/t9-/m1/s1
InChIKeyOYRRDHILGFQVLW-SECBINFHSA-N
MW353.22 g/mol
LogP1.62
Rot. Bonds4

About 5-bromo-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpyrimidin-4-amine

5-bromo-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpyrimidin-4-amine (PubChem CID 53467399) has the molecular formula C13H17BrN6O and a molecular weight of 353.22 g/mol. Its IUPAC name is 5-bromo-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpyrimidin-4-amine
PubChem CID53467399
Molecular FormulaC13H17BrN6O
Molecular Weight353.22 g/mol
Exact Mass352.06
IUPAC Name5-bromo-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpyrimidin-4-amine
SMILESCOC[C@H]1CCCN1c1nc(-n2cccn2)nc(N)c1Br
InChIInChI=1S/C13H17BrN6O/c1-21-8-9-4-2-6-19(9)12-10(14)11(15)17-13(18-12)20-7-3-5-16-20/h3,5,7,9H,2,4,6,8H2,1H3,(H2,15,17,18)/t9-/m1/s1
InChIKeyOYRRDHILGFQVLW-SECBINFHSA-N
XLogP1.62
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpyrimidin-4-amine (CID 53467399) is 5-bromo-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpyrimidin-4-amine is COC[C@H]1CCCN1c1nc(-n2cccn2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpyrimidin-4-amine?
The InChIKey is OYRRDHILGFQVLW-SECBINFHSA-N. The full InChI is InChI=1S/C13H17BrN6O/c1-21-8-9-4-2-6-19(9)12-10(14)11(15)17-13(18-12)20-7-3-5-16-20/h3,5,7,9H,2,4,6,8H2,1H3,(H2,15,17,18)/t9-/m1/s1.
What are the key properties of 5-bromo-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpyrimidin-4-amine?
5-bromo-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpyrimidin-4-amine has a molecular weight of 353.22 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 53467399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).