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

C11H12BrN5 — CID 114554378

IUPAC5-bromo-6-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine
SMILESCn1nccc1-c1nc(N)c(Br)c(C2CC2)n1
InChIInChI=1S/C11H12BrN5/c1-17-7(4-5-14-17)11-15-9(6-2-3-6)8(12)10(13)16-11/h4-6H,2-3H2,1H3,(H2,13,15,16)
InChIKeyZVTBLWSLKWOVCS-UHFFFAOYSA-N
MW294.16 g/mol
LogP2.10
Rot. Bonds2

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

5-bromo-6-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine (PubChem CID 114554378) has the molecular formula C11H12BrN5 and a molecular weight of 294.16 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine
PubChem CID114554378
Molecular FormulaC11H12BrN5
Molecular Weight294.16 g/mol
Exact Mass293.03
IUPAC Name5-bromo-6-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine
SMILESCn1nccc1-c1nc(N)c(Br)c(C2CC2)n1
InChIInChI=1S/C11H12BrN5/c1-17-7(4-5-14-17)11-15-9(6-2-3-6)8(12)10(13)16-11/h4-6H,2-3H2,1H3,(H2,13,15,16)
InChIKeyZVTBLWSLKWOVCS-UHFFFAOYSA-N
XLogP2.10
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine (CID 114554378) is 5-bromo-6-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine is Cn1nccc1-c1nc(N)c(Br)c(C2CC2)n1.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is ZVTBLWSLKWOVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5/c1-17-7(4-5-14-17)11-15-9(6-2-3-6)8(12)10(13)16-11/h4-6H,2-3H2,1H3,(H2,13,15,16).
What are the key properties of 5-bromo-6-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 294.16 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 114554378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).