N-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide

C12H16BrN3O — CID 102922809

IUPACN-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide
SMILESO=C(NCC1CCCC1CBr)c1cncnc1
InChIInChI=1S/C12H16BrN3O/c13-4-9-2-1-3-10(9)7-16-12(17)11-5-14-8-15-6-11/h5-6,8-10H,1-4,7H2,(H,16,17)
InChIKeyLVMLXNHJULAQIV-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.02
Rot. Bonds4

About N-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide

N-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide (PubChem CID 102922809) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide
PubChem CID102922809
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC NameN-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide
SMILESO=C(NCC1CCCC1CBr)c1cncnc1
InChIInChI=1S/C12H16BrN3O/c13-4-9-2-1-3-10(9)7-16-12(17)11-5-14-8-15-6-11/h5-6,8-10H,1-4,7H2,(H,16,17)
InChIKeyLVMLXNHJULAQIV-UHFFFAOYSA-N
XLogP2.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorocyclohexyl)methyl]pyrimidine-5-carboxamide
CID 102922761
N-[[2-(bromomethyl)cyclopentyl]methyl]-4-cyanobenzamide
CID 114317040
N-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide
CID 114317235
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
CID 113276266
4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
CID 113276202
N-[[2-(bromomethyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 114317015
N-[[2-(bromomethyl)cyclohexyl]methyl]-5-cyanopyridine-2-carboxamide
CID 114317417
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114317199
N-[(3-aminocyclopentyl)methyl]pyrimidine-5-carboxamide
CID 106121781
N-[(3-hydroxycyclopentyl)methyl]pyrimidine-5-carboxamide
CID 103280499
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 114317011
N-[[2-(bromomethyl)cyclohexyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 114317356

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide (CID 102922809) is N-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide is O=C(NCC1CCCC1CBr)c1cncnc1.
What is the InChIKey of N-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide?
The InChIKey is LVMLXNHJULAQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c13-4-9-2-1-3-10(9)7-16-12(17)11-5-14-8-15-6-11/h5-6,8-10H,1-4,7H2,(H,16,17).
What are the key properties of N-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide?
N-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 102922809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).