N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide

C12H16BrN3O — CID 102922878

IUPACN-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide
SMILESO=C(c1cncnc1)N(CCCBr)C1CCC1
InChIInChI=1S/C12H16BrN3O/c13-5-2-6-16(11-3-1-4-11)12(17)10-7-14-9-15-8-10/h7-9,11H,1-6H2
InChIKeyNUAMDJYNLTZKHN-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.26
Rot. Bonds5

About N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide

N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide (PubChem CID 102922878) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide
PubChem CID102922878
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC NameN-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide
SMILESO=C(c1cncnc1)N(CCCBr)C1CCC1
InChIInChI=1S/C12H16BrN3O/c13-5-2-6-16(11-3-1-4-11)12(17)10-7-14-9-15-8-10/h7-9,11H,1-6H2
InChIKeyNUAMDJYNLTZKHN-UHFFFAOYSA-N
XLogP2.26
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-cyclopentylpyrimidine-5-carboxamide
CID 102922719
N-(2-chloroethyl)-N-cyclohexylpyrimidine-5-carboxamide
CID 102922692
N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 102872326
N-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide
CID 102872235
N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
CID 102872443
N-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide
CID 106754316
N-(3-bromopropyl)-3-chloro-N-cyclobutylpyridine-4-carboxamide
CID 102872187
3-bromo-N-(3-bromopropyl)-5-chloro-N-cyclobutylbenzamide
CID 107941502
N-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide
CID 102872269
N-(3-bromopropyl)-3-chloro-N-cyclobutyl-4-iodobenzamide
CID 103212872
3-bromo-N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 107994367
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylpyrimidine-5-carboxamide
CID 102922552

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide (CID 102922878) is N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide is O=C(c1cncnc1)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide?
The InChIKey is NUAMDJYNLTZKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c13-5-2-6-16(11-3-1-4-11)12(17)10-7-14-9-15-8-10/h7-9,11H,1-6H2.
What are the key properties of N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide?
N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide is sourced from PubChem (CID 102922878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).