N-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide

C8H8BrN3O — CID 176572417

IUPACN-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide
SMILESO=C(Nc1cc(Br)ncn1)C1CC1
InChIInChI=1S/C8H8BrN3O/c9-6-3-7(11-4-10-6)12-8(13)5-1-2-5/h3-5H,1-2H2,(H,10,11,12,13)
InChIKeyDGLQFYMIUYGIEQ-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.59
Rot. Bonds2

About N-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide

N-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide (PubChem CID 176572417) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is N-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide
PubChem CID176572417
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC NameN-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide
SMILESO=C(Nc1cc(Br)ncn1)C1CC1
InChIInChI=1S/C8H8BrN3O/c9-6-3-7(11-4-10-6)12-8(13)5-1-2-5/h3-5H,1-2H2,(H,10,11,12,13)
InChIKeyDGLQFYMIUYGIEQ-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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Related Compounds

N-(6-piperidin-1-ylpyrimidin-4-yl)cyclopentanecarboxamide
CID 90544433
N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 102674384
N-(4-bromo-2-pyridinyl)cyclopentanecarboxamide
CID 102674366
N-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
CID 90020675
N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
CID 80502105
N-(6-chloropyrimidin-4-yl)cyclopropanecarboxamide;4-methylpyrimidine
CID 165133484
N-[6-(5-amino-2-fluorophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
CID 118231297
N-[6-[(1,6-dimethylindazol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 167686376
4-(aminomethyl)-N-(5-bromopyrazin-2-yl)cyclohexane-1-carboxamide
CID 79526691
N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide
CID 103816457
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
N-[4-methyl-5-(methylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 167023085

Frequently Asked Questions

What is the IUPAC name of N-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide?
The IUPAC name of N-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide (CID 176572417) is N-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide is O=C(Nc1cc(Br)ncn1)C1CC1.
What is the InChIKey of N-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide?
The InChIKey is DGLQFYMIUYGIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O/c9-6-3-7(11-4-10-6)12-8(13)5-1-2-5/h3-5H,1-2H2,(H,10,11,12,13).
What are the key properties of N-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide?
N-(6-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-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide is sourced from PubChem (CID 176572417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).