1-(5-bromopyrimidin-2-yl)cyclopropan-1-amine

C7H8BrN3 — CID 66968254

IUPAC1-(5-bromopyrimidin-2-yl)cyclopropan-1-amine
SMILESNC1(c2ncc(Br)cn2)CC1
InChIInChI=1S/C7H8BrN3/c8-5-3-10-6(11-4-5)7(9)1-2-7/h3-4H,1-2,9H2
InChIKeyWQPXUGGREHDFQY-UHFFFAOYSA-N
MW214.07 g/mol
LogP1.19
Rot. Bonds1

About 1-(5-bromopyrimidin-2-yl)cyclopropan-1-amine

1-(5-bromopyrimidin-2-yl)cyclopropan-1-amine (PubChem CID 66968254) has the molecular formula C7H8BrN3 and a molecular weight of 214.07 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)cyclopropan-1-amine
PubChem CID66968254
Molecular FormulaC7H8BrN3
Molecular Weight214.07 g/mol
Exact Mass212.99
IUPAC Name1-(5-bromopyrimidin-2-yl)cyclopropan-1-amine
SMILESNC1(c2ncc(Br)cn2)CC1
InChIInChI=1S/C7H8BrN3/c8-5-3-10-6(11-4-5)7(9)1-2-7/h3-4H,1-2,9H2
InChIKeyWQPXUGGREHDFQY-UHFFFAOYSA-N
XLogP1.19
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.07
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)cyclopropan-1-amine?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)cyclopropan-1-amine (CID 66968254) is 1-(5-bromopyrimidin-2-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)cyclopropan-1-amine is NC1(c2ncc(Br)cn2)CC1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)cyclopropan-1-amine?
The InChIKey is WQPXUGGREHDFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3/c8-5-3-10-6(11-4-5)7(9)1-2-7/h3-4H,1-2,9H2.
What are the key properties of 1-(5-bromopyrimidin-2-yl)cyclopropan-1-amine?
1-(5-bromopyrimidin-2-yl)cyclopropan-1-amine has a molecular weight of 214.07 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)cyclopropan-1-amine is sourced from PubChem (CID 66968254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).