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

C11H13BrN6 — CID 53468046

IUPAC6-(azetidin-1-yl)-5-bromo-2-(4-methylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cnn(-c2nc(N)c(Br)c(N3CCC3)n2)c1
InChIInChI=1S/C11H13BrN6/c1-7-5-14-18(6-7)11-15-9(13)8(12)10(16-11)17-3-2-4-17/h5-6H,2-4H2,1H3,(H2,13,15,16)
InChIKeySYGUFKMQYILQSG-UHFFFAOYSA-N
MW309.17 g/mol
LogP1.53
Rot. Bonds2

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

6-(azetidin-1-yl)-5-bromo-2-(4-methylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 53468046) has the molecular formula C11H13BrN6 and a molecular weight of 309.17 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-5-bromo-2-(4-methylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(azetidin-1-yl)-5-bromo-2-(4-methylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID53468046
Molecular FormulaC11H13BrN6
Molecular Weight309.17 g/mol
Exact Mass308.04
IUPAC Name6-(azetidin-1-yl)-5-bromo-2-(4-methylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cnn(-c2nc(N)c(Br)c(N3CCC3)n2)c1
InChIInChI=1S/C11H13BrN6/c1-7-5-14-18(6-7)11-15-9(13)8(12)10(16-11)17-3-2-4-17/h5-6H,2-4H2,1H3,(H2,13,15,16)
InChIKeySYGUFKMQYILQSG-UHFFFAOYSA-N
XLogP1.53
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(azetidin-1-yl)-5-bromo-2-(4-methylpyrazol-1-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-1-yl)-5-bromo-2-(4-methylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-(azetidin-1-yl)-5-bromo-2-(4-methylpyrazol-1-yl)pyrimidin-4-amine (CID 53468046) is 6-(azetidin-1-yl)-5-bromo-2-(4-methylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(azetidin-1-yl)-5-bromo-2-(4-methylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(azetidin-1-yl)-5-bromo-2-(4-methylpyrazol-1-yl)pyrimidin-4-amine is Cc1cnn(-c2nc(N)c(Br)c(N3CCC3)n2)c1.
What is the InChIKey of 6-(azetidin-1-yl)-5-bromo-2-(4-methylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is SYGUFKMQYILQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN6/c1-7-5-14-18(6-7)11-15-9(13)8(12)10(16-11)17-3-2-4-17/h5-6H,2-4H2,1H3,(H2,13,15,16).
What are the key properties of 6-(azetidin-1-yl)-5-bromo-2-(4-methylpyrazol-1-yl)pyrimidin-4-amine?
6-(azetidin-1-yl)-5-bromo-2-(4-methylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 309.17 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-1-yl)-5-bromo-2-(4-methylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 53468046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).