N-(5-bromopyrimidin-4-yl)cyclopropanecarboxamide

C8H8BrN3O — CID 139071807

IUPACN-(5-bromopyrimidin-4-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ncncc1Br)C1CC1
InChIInChI=1S/C8H8BrN3O/c9-6-3-10-4-11-7(6)12-8(13)5-1-2-5/h3-5H,1-2H2,(H,10,11,12,13)
InChIKeySIOXEOIAGUCZPQ-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.59
Rot. Bonds2

About N-(5-bromopyrimidin-4-yl)cyclopropanecarboxamide

N-(5-bromopyrimidin-4-yl)cyclopropanecarboxamide (PubChem CID 139071807) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is N-(5-bromopyrimidin-4-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-bromopyrimidin-4-yl)cyclopropanecarboxamide
PubChem CID139071807
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC NameN-(5-bromopyrimidin-4-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ncncc1Br)C1CC1
InChIInChI=1S/C8H8BrN3O/c9-6-3-10-4-11-7(6)12-8(13)5-1-2-5/h3-5H,1-2H2,(H,10,11,12,13)
InChIKeySIOXEOIAGUCZPQ-UHFFFAOYSA-N
XLogP1.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrimidin-4-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5-bromopyrimidin-4-yl)cyclopropanecarboxamide (CID 139071807) is N-(5-bromopyrimidin-4-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-bromopyrimidin-4-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-bromopyrimidin-4-yl)cyclopropanecarboxamide is O=C(Nc1ncncc1Br)C1CC1.
What is the InChIKey of N-(5-bromopyrimidin-4-yl)cyclopropanecarboxamide?
The InChIKey is SIOXEOIAGUCZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O/c9-6-3-10-4-11-7(6)12-8(13)5-1-2-5/h3-5H,1-2H2,(H,10,11,12,13).
What are the key properties of N-(5-bromopyrimidin-4-yl)cyclopropanecarboxamide?
N-(5-bromopyrimidin-4-yl)cyclopropanecarboxamide has a molecular weight of 242.08 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrimidin-4-yl)cyclopropanecarboxamide is sourced from PubChem (CID 139071807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).