1-[3-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

C16H18BrN5O4 — CID 122258750

IUPAC1-[3-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N1CCCC(Oc2ncc(Br)cn2)C1
InChIInChI=1S/C16H18BrN5O4/c17-11-8-18-15(19-9-11)26-12-2-1-5-22(10-12)14(24)4-7-21-6-3-13(23)20-16(21)25/h3,6,8-9,12H,1-2,4-5,7,10H2,(H,20,23,25)
InChIKeyBTKQLRWTQDFYIO-UHFFFAOYSA-N
MW424.26 g/mol
LogP0.55
Rot. Bonds5

About 1-[3-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

1-[3-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (PubChem CID 122258750) has the molecular formula C16H18BrN5O4 and a molecular weight of 424.26 g/mol. Its IUPAC name is 1-[3-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
PubChem CID122258750
Molecular FormulaC16H18BrN5O4
Molecular Weight424.26 g/mol
Exact Mass423.05
IUPAC Name1-[3-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N1CCCC(Oc2ncc(Br)cn2)C1
InChIInChI=1S/C16H18BrN5O4/c17-11-8-18-15(19-9-11)26-12-2-1-5-22(10-12)14(24)4-7-21-6-3-13(23)20-16(21)25/h3,6,8-9,12H,1-2,4-5,7,10H2,(H,20,23,25)
InChIKeyBTKQLRWTQDFYIO-UHFFFAOYSA-N
XLogP0.55
TPSA110.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.26
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[3-oxo-3-(3-pyrimidin-4-yloxypiperidin-1-yl)propyl]pyrimidine-2,4-dione
CID 122160256
1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione
CID 100638229
1-[3-oxo-3-(3-pyridazin-3-yloxypyrrolidin-1-yl)propyl]pyrimidine-2,4-dione
CID 91627186
1-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-(3-chlorophenyl)propan-1-one
CID 122259026
1-[3-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 100616302
1-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 122258729
1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidin-2-one
CID 122259064
benzyl N-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate
CID 122258979
3-chloro-1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]propan-1-one
CID 122259293
1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)imidazolidin-2-one
CID 122259062
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(furan-3-yl)methanone
CID 122258964
1-[3-[(3R,4R)-3-hydroxy-4-(pyrimidin-2-ylamino)piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 118774263

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (CID 122258750) is 1-[3-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC(Oc2ncc(Br)cn2)C1.
What is the InChIKey of 1-[3-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The InChIKey is BTKQLRWTQDFYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN5O4/c17-11-8-18-15(19-9-11)26-12-2-1-5-22(10-12)14(24)4-7-21-6-3-13(23)20-16(21)25/h3,6,8-9,12H,1-2,4-5,7,10H2,(H,20,23,25).
What are the key properties of 1-[3-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
1-[3-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione has a molecular weight of 424.26 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 122258750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).