5-bromo-3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one

C9H14BrN3O2 — CID 66310392

IUPAC5-bromo-3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one
SMILESCCNCC(O)Cn1cncc(Br)c1=O
InChIInChI=1S/C9H14BrN3O2/c1-2-11-3-7(14)5-13-6-12-4-8(10)9(13)15/h4,6-7,11,14H,2-3,5H2,1H3
InChIKeyUIKKIMVSDDRTHA-UHFFFAOYSA-N
MW276.13 g/mol
LogP-0.02
Rot. Bonds5

About 5-bromo-3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one

5-bromo-3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one (PubChem CID 66310392) has the molecular formula C9H14BrN3O2 and a molecular weight of 276.13 g/mol. Its IUPAC name is 5-bromo-3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one
PubChem CID66310392
Molecular FormulaC9H14BrN3O2
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Name5-bromo-3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one
SMILESCCNCC(O)Cn1cncc(Br)c1=O
InChIInChI=1S/C9H14BrN3O2/c1-2-11-3-7(14)5-13-6-12-4-8(10)9(13)15/h4,6-7,11,14H,2-3,5H2,1H3
InChIKeyUIKKIMVSDDRTHA-UHFFFAOYSA-N
XLogP-0.02
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one (CID 66310392) is 5-bromo-3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one is CCNCC(O)Cn1cncc(Br)c1=O.
What is the InChIKey of 5-bromo-3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one?
The InChIKey is UIKKIMVSDDRTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2/c1-2-11-3-7(14)5-13-6-12-4-8(10)9(13)15/h4,6-7,11,14H,2-3,5H2,1H3.
What are the key properties of 5-bromo-3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one?
5-bromo-3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one has a molecular weight of 276.13 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one is sourced from PubChem (CID 66310392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).