5-bromo-3-[2-(cyclopropylmethylamino)ethyl]pyrimidin-4-one

C10H14BrN3O — CID 66308725

IUPAC5-bromo-3-[2-(cyclopropylmethylamino)ethyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCNCC1CC1
InChIInChI=1S/C10H14BrN3O/c11-9-6-13-7-14(10(9)15)4-3-12-5-8-1-2-8/h6-8,12H,1-5H2
InChIKeyOBQMNEHYXFWBLS-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.01
Rot. Bonds5

About 5-bromo-3-[2-(cyclopropylmethylamino)ethyl]pyrimidin-4-one

5-bromo-3-[2-(cyclopropylmethylamino)ethyl]pyrimidin-4-one (PubChem CID 66308725) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-3-[2-(cyclopropylmethylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[2-(cyclopropylmethylamino)ethyl]pyrimidin-4-one
PubChem CID66308725
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-3-[2-(cyclopropylmethylamino)ethyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCNCC1CC1
InChIInChI=1S/C10H14BrN3O/c11-9-6-13-7-14(10(9)15)4-3-12-5-8-1-2-8/h6-8,12H,1-5H2
InChIKeyOBQMNEHYXFWBLS-UHFFFAOYSA-N
XLogP1.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(cyclopropylmethylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[2-(cyclopropylmethylamino)ethyl]pyrimidin-4-one (CID 66308725) is 5-bromo-3-[2-(cyclopropylmethylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[2-(cyclopropylmethylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[2-(cyclopropylmethylamino)ethyl]pyrimidin-4-one is O=c1c(Br)cncn1CCNCC1CC1.
What is the InChIKey of 5-bromo-3-[2-(cyclopropylmethylamino)ethyl]pyrimidin-4-one?
The InChIKey is OBQMNEHYXFWBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c11-9-6-13-7-14(10(9)15)4-3-12-5-8-1-2-8/h6-8,12H,1-5H2.
What are the key properties of 5-bromo-3-[2-(cyclopropylmethylamino)ethyl]pyrimidin-4-one?
5-bromo-3-[2-(cyclopropylmethylamino)ethyl]pyrimidin-4-one has a molecular weight of 272.15 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(cyclopropylmethylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 66308725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).