4-bromo-N-cyclopropylpyrimidine-2-carboxamide

C8H8BrN3O — CID 87238658

IUPAC4-bromo-N-cyclopropylpyrimidine-2-carboxamide
SMILESO=C(NC1CC1)c1nccc(Br)n1
InChIInChI=1S/C8H8BrN3O/c9-6-3-4-10-7(12-6)8(13)11-5-1-2-5/h3-5H,1-2H2,(H,11,13)
InChIKeyKMNVQKZKVQWLOG-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.13
Rot. Bonds2

About 4-bromo-N-cyclopropylpyrimidine-2-carboxamide

4-bromo-N-cyclopropylpyrimidine-2-carboxamide (PubChem CID 87238658) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is 4-bromo-N-cyclopropylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cyclopropylpyrimidine-2-carboxamide
PubChem CID87238658
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC Name4-bromo-N-cyclopropylpyrimidine-2-carboxamide
SMILESO=C(NC1CC1)c1nccc(Br)n1
InChIInChI=1S/C8H8BrN3O/c9-6-3-4-10-7(12-6)8(13)11-5-1-2-5/h3-5H,1-2H2,(H,11,13)
InChIKeyKMNVQKZKVQWLOG-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropylpyrimidine-2-carboxamide?
The IUPAC name of 4-bromo-N-cyclopropylpyrimidine-2-carboxamide (CID 87238658) is 4-bromo-N-cyclopropylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-bromo-N-cyclopropylpyrimidine-2-carboxamide?
The canonical SMILES for 4-bromo-N-cyclopropylpyrimidine-2-carboxamide is O=C(NC1CC1)c1nccc(Br)n1.
What is the InChIKey of 4-bromo-N-cyclopropylpyrimidine-2-carboxamide?
The InChIKey is KMNVQKZKVQWLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O/c9-6-3-4-10-7(12-6)8(13)11-5-1-2-5/h3-5H,1-2H2,(H,11,13).
What are the key properties of 4-bromo-N-cyclopropylpyrimidine-2-carboxamide?
4-bromo-N-cyclopropylpyrimidine-2-carboxamide has a molecular weight of 242.08 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropylpyrimidine-2-carboxamide is sourced from PubChem (CID 87238658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).