5-bromo-4-[2-bromoethyl(cyclobutyl)amino]-1H-pyrimidin-6-one

C10H13Br2N3O — CID 136827328

IUPAC5-bromo-4-[2-bromoethyl(cyclobutyl)amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N(CCBr)C2CCC2)c1Br
InChIInChI=1S/C10H13Br2N3O/c11-4-5-15(7-2-1-3-7)9-8(12)10(16)14-6-13-9/h6-7H,1-5H2,(H,13,14,16)
InChIKeyZNQZVNQNLAKQAM-UHFFFAOYSA-N
MW351.04 g/mol
LogP2.29
Rot. Bonds4

About 5-bromo-4-[2-bromoethyl(cyclobutyl)amino]-1H-pyrimidin-6-one

5-bromo-4-[2-bromoethyl(cyclobutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136827328) has the molecular formula C10H13Br2N3O and a molecular weight of 351.04 g/mol. Its IUPAC name is 5-bromo-4-[2-bromoethyl(cyclobutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-bromoethyl(cyclobutyl)amino]-1H-pyrimidin-6-one
PubChem CID136827328
Molecular FormulaC10H13Br2N3O
Molecular Weight351.04 g/mol
Exact Mass348.94
IUPAC Name5-bromo-4-[2-bromoethyl(cyclobutyl)amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N(CCBr)C2CCC2)c1Br
InChIInChI=1S/C10H13Br2N3O/c11-4-5-15(7-2-1-3-7)9-8(12)10(16)14-6-13-9/h6-7H,1-5H2,(H,13,14,16)
InChIKeyZNQZVNQNLAKQAM-UHFFFAOYSA-N
XLogP2.29
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.04
LogP ≤ 52.29
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

5-Bromo-6-[(3,3-difluorocyclobutyl)amino]-3,4-dihydropyrimidin-4-one
CID 164651910
5-bromo-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136827310
4-[3-bromopropyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136827321
5-bromo-4-[3-bromopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one
CID 136827322
4-[3-bromopropyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136827323
5-bromo-4-[3-chloropropyl(cyclobutyl)amino]-1H-pyrimidin-6-one
CID 136827325
4-[2-bromoethyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136827327
4-[2-bromoethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136827329
5-bromo-4-[2-chloroethyl(cyclobutyl)amino]-1H-pyrimidin-6-one
CID 136827331
4-[3-aminopropyl(cyclobutyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136827335
4-[2-aminoethyl(cyclobutyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136827345
5-bromo-4-[5-bromopentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136829846

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-bromoethyl(cyclobutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-bromoethyl(cyclobutyl)amino]-1H-pyrimidin-6-one (CID 136827328) is 5-bromo-4-[2-bromoethyl(cyclobutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-bromoethyl(cyclobutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-bromoethyl(cyclobutyl)amino]-1H-pyrimidin-6-one is O=c1[nH]cnc(N(CCBr)C2CCC2)c1Br.
What is the InChIKey of 5-bromo-4-[2-bromoethyl(cyclobutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is ZNQZVNQNLAKQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N3O/c11-4-5-15(7-2-1-3-7)9-8(12)10(16)14-6-13-9/h6-7H,1-5H2,(H,13,14,16).
What are the key properties of 5-bromo-4-[2-bromoethyl(cyclobutyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[2-bromoethyl(cyclobutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 351.04 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-bromoethyl(cyclobutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136827328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).