5-(2-bromo-4-pyridinyl)-4-cyclopropylpyrimidin-2-amine

C12H11BrN4 — CID 118709190

IUPAC5-(2-bromo-4-pyridinyl)-4-cyclopropylpyrimidin-2-amine
SMILESNc1ncc(-c2ccnc(Br)c2)c(C2CC2)n1
InChIInChI=1S/C12H11BrN4/c13-10-5-8(3-4-15-10)9-6-16-12(14)17-11(9)7-1-2-7/h3-7H,1-2H2,(H2,14,16,17)
InChIKeyIODHBHAJJQWZBG-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.76
Rot. Bonds2

About 5-(2-bromo-4-pyridinyl)-4-cyclopropylpyrimidin-2-amine

5-(2-bromo-4-pyridinyl)-4-cyclopropylpyrimidin-2-amine (PubChem CID 118709190) has the molecular formula C12H11BrN4 and a molecular weight of 291.15 g/mol. Its IUPAC name is 5-(2-bromo-4-pyridinyl)-4-cyclopropylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-bromo-4-pyridinyl)-4-cyclopropylpyrimidin-2-amine
PubChem CID118709190
Molecular FormulaC12H11BrN4
Molecular Weight291.15 g/mol
Exact Mass290.02
IUPAC Name5-(2-bromo-4-pyridinyl)-4-cyclopropylpyrimidin-2-amine
SMILESNc1ncc(-c2ccnc(Br)c2)c(C2CC2)n1
InChIInChI=1S/C12H11BrN4/c13-10-5-8(3-4-15-10)9-6-16-12(14)17-11(9)7-1-2-7/h3-7H,1-2H2,(H2,14,16,17)
InChIKeyIODHBHAJJQWZBG-UHFFFAOYSA-N
XLogP2.76
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-pyridinyl)-4-cyclopropylpyrimidin-2-amine?
The IUPAC name of 5-(2-bromo-4-pyridinyl)-4-cyclopropylpyrimidin-2-amine (CID 118709190) is 5-(2-bromo-4-pyridinyl)-4-cyclopropylpyrimidin-2-amine.
What is the SMILES notation for 5-(2-bromo-4-pyridinyl)-4-cyclopropylpyrimidin-2-amine?
The canonical SMILES for 5-(2-bromo-4-pyridinyl)-4-cyclopropylpyrimidin-2-amine is Nc1ncc(-c2ccnc(Br)c2)c(C2CC2)n1.
What is the InChIKey of 5-(2-bromo-4-pyridinyl)-4-cyclopropylpyrimidin-2-amine?
The InChIKey is IODHBHAJJQWZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4/c13-10-5-8(3-4-15-10)9-6-16-12(14)17-11(9)7-1-2-7/h3-7H,1-2H2,(H2,14,16,17).
What are the key properties of 5-(2-bromo-4-pyridinyl)-4-cyclopropylpyrimidin-2-amine?
5-(2-bromo-4-pyridinyl)-4-cyclopropylpyrimidin-2-amine has a molecular weight of 291.15 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-pyridinyl)-4-cyclopropylpyrimidin-2-amine is sourced from PubChem (CID 118709190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).