5-bromo-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide

C10H12BrN3O — CID 130174766

IUPAC5-bromo-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1ncncc1Br)C1CC1
InChIInChI=1S/C10H12BrN3O/c1-6(7-2-3-7)14-10(15)9-8(11)4-12-5-13-9/h4-7H,2-3H2,1H3,(H,14,15)
InChIKeyFYIARFINEYIZAN-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.77
Rot. Bonds3

About 5-bromo-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide

5-bromo-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide (PubChem CID 130174766) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide
PubChem CID130174766
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name5-bromo-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1ncncc1Br)C1CC1
InChIInChI=1S/C10H12BrN3O/c1-6(7-2-3-7)14-10(15)9-8(11)4-12-5-13-9/h4-7H,2-3H2,1H3,(H,14,15)
InChIKeyFYIARFINEYIZAN-UHFFFAOYSA-N
XLogP1.77
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide
CID 75522226
3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide
CID 107517908
5-bromo-N-(1-cyanopropan-2-yl)pyrimidine-4-carboxamide
CID 130174775
3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide
CID 107519381
N-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 55046824
5-bromopyrimidine-4-carboxylic acid
CID 21329200
5-bromo-N-(1-cyclopropylethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242129
5-bromo-N-(1-bromo-2-methylpropan-2-yl)pyrimidine-4-carboxamide
CID 130565372
2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide
CID 89420130
3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide
CID 106544366
5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide
CID 22830772
(5-bromopyrimidin-4-yl)-(oxan-4-yl)methanone
CID 130565415

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-bromo-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide (CID 130174766) is 5-bromo-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-bromo-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide is CC(NC(=O)c1ncncc1Br)C1CC1.
What is the InChIKey of 5-bromo-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide?
The InChIKey is FYIARFINEYIZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-6(7-2-3-7)14-10(15)9-8(11)4-12-5-13-9/h4-7H,2-3H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide?
5-bromo-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide has a molecular weight of 270.13 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 130174766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).