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

C10H16BrN3O — CID 66310425

IUPAC5-bromo-3-[3-(ethylamino)-2-methylpropyl]pyrimidin-4-one
SMILESCCNCC(C)Cn1cncc(Br)c1=O
InChIInChI=1S/C10H16BrN3O/c1-3-12-4-8(2)6-14-7-13-5-9(11)10(14)15/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyWOBPLABILKYROT-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.25
Rot. Bonds5

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

5-bromo-3-[3-(ethylamino)-2-methylpropyl]pyrimidin-4-one (PubChem CID 66310425) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-3-[3-(ethylamino)-2-methylpropyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[3-(ethylamino)-2-methylpropyl]pyrimidin-4-one
PubChem CID66310425
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name5-bromo-3-[3-(ethylamino)-2-methylpropyl]pyrimidin-4-one
SMILESCCNCC(C)Cn1cncc(Br)c1=O
InChIInChI=1S/C10H16BrN3O/c1-3-12-4-8(2)6-14-7-13-5-9(11)10(14)15/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyWOBPLABILKYROT-UHFFFAOYSA-N
XLogP1.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[3-(ethylamino)-2-methylpropyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[3-(ethylamino)-2-methylpropyl]pyrimidin-4-one (CID 66310425) is 5-bromo-3-[3-(ethylamino)-2-methylpropyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[3-(ethylamino)-2-methylpropyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[3-(ethylamino)-2-methylpropyl]pyrimidin-4-one is CCNCC(C)Cn1cncc(Br)c1=O.
What is the InChIKey of 5-bromo-3-[3-(ethylamino)-2-methylpropyl]pyrimidin-4-one?
The InChIKey is WOBPLABILKYROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-3-12-4-8(2)6-14-7-13-5-9(11)10(14)15/h5,7-8,12H,3-4,6H2,1-2H3.
What are the key properties of 5-bromo-3-[3-(ethylamino)-2-methylpropyl]pyrimidin-4-one?
5-bromo-3-[3-(ethylamino)-2-methylpropyl]pyrimidin-4-one has a molecular weight of 274.16 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[3-(ethylamino)-2-methylpropyl]pyrimidin-4-one is sourced from PubChem (CID 66310425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).