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

C13H16BrN5 — CID 114554404

IUPAC5-bromo-6-cyclopentyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine
SMILESCn1nccc1-c1nc(N)c(Br)c(C2CCCC2)n1
InChIInChI=1S/C13H16BrN5/c1-19-9(6-7-16-19)13-17-11(8-4-2-3-5-8)10(14)12(15)18-13/h6-8H,2-5H2,1H3,(H2,15,17,18)
InChIKeyYXGSSOVQVZCNQG-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.88
Rot. Bonds2

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

5-bromo-6-cyclopentyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine (PubChem CID 114554404) has the molecular formula C13H16BrN5 and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-6-cyclopentyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopentyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine
PubChem CID114554404
Molecular FormulaC13H16BrN5
Molecular Weight322.21 g/mol
Exact Mass321.06
IUPAC Name5-bromo-6-cyclopentyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine
SMILESCn1nccc1-c1nc(N)c(Br)c(C2CCCC2)n1
InChIInChI=1S/C13H16BrN5/c1-19-9(6-7-16-19)13-17-11(8-4-2-3-5-8)10(14)12(15)18-13/h6-8H,2-5H2,1H3,(H2,15,17,18)
InChIKeyYXGSSOVQVZCNQG-UHFFFAOYSA-N
XLogP2.88
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopentyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopentyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine (CID 114554404) is 5-bromo-6-cyclopentyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopentyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopentyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine is Cn1nccc1-c1nc(N)c(Br)c(C2CCCC2)n1.
What is the InChIKey of 5-bromo-6-cyclopentyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is YXGSSOVQVZCNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5/c1-19-9(6-7-16-19)13-17-11(8-4-2-3-5-8)10(14)12(15)18-13/h6-8H,2-5H2,1H3,(H2,15,17,18).
What are the key properties of 5-bromo-6-cyclopentyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine?
5-bromo-6-cyclopentyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopentyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 114554404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).