5-bromo-4-[3-bromopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one

C11H15Br2N3O — CID 136827322

IUPAC5-bromo-4-[3-bromopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N(CCCBr)C2CCC2)c1Br
InChIInChI=1S/C11H15Br2N3O/c12-5-2-6-16(8-3-1-4-8)10-9(13)11(17)15-7-14-10/h7-8H,1-6H2,(H,14,15,17)
InChIKeySTIRGJFQRPSTFF-UHFFFAOYSA-N
MW365.07 g/mol
LogP2.68
Rot. Bonds5

About 5-bromo-4-[3-bromopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one

5-bromo-4-[3-bromopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136827322) has the molecular formula C11H15Br2N3O and a molecular weight of 365.07 g/mol. Its IUPAC name is 5-bromo-4-[3-bromopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[3-bromopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one
PubChem CID136827322
Molecular FormulaC11H15Br2N3O
Molecular Weight365.07 g/mol
Exact Mass362.96
IUPAC Name5-bromo-4-[3-bromopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N(CCCBr)C2CCC2)c1Br
InChIInChI=1S/C11H15Br2N3O/c12-5-2-6-16(8-3-1-4-8)10-9(13)11(17)15-7-14-10/h7-8H,1-6H2,(H,14,15,17)
InChIKeySTIRGJFQRPSTFF-UHFFFAOYSA-N
XLogP2.68
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 52.68
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
4-[3-bromopropyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136827321
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
5-bromo-4-[2-bromoethyl(cyclobutyl)amino]-1H-pyrimidin-6-one
CID 136827328
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
5-bromo-4-[(2-bromocyclohexyl)-methylamino]-1H-pyrimidin-6-one
CID 136859487

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[3-bromopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[3-bromopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one (CID 136827322) is 5-bromo-4-[3-bromopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[3-bromopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[3-bromopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one is O=c1[nH]cnc(N(CCCBr)C2CCC2)c1Br.
What is the InChIKey of 5-bromo-4-[3-bromopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is STIRGJFQRPSTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2N3O/c12-5-2-6-16(8-3-1-4-8)10-9(13)11(17)15-7-14-10/h7-8H,1-6H2,(H,14,15,17).
What are the key properties of 5-bromo-4-[3-bromopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[3-bromopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 365.07 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[3-bromopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136827322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).