5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one

C14H20BrN3O — CID 66308778

IUPAC5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one
SMILESCc1ncn(CCNC(C2CC2)C2CC2)c(=O)c1Br
InChIInChI=1S/C14H20BrN3O/c1-9-12(15)14(19)18(8-17-9)7-6-16-13(10-2-3-10)11-4-5-11/h8,10-11,13,16H,2-7H2,1H3
InChIKeyUBJRQJXKXIJHLI-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.09
Rot. Bonds6

About 5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one

5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one (PubChem CID 66308778) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one
PubChem CID66308778
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one
SMILESCc1ncn(CCNC(C2CC2)C2CC2)c(=O)c1Br
InChIInChI=1S/C14H20BrN3O/c1-9-12(15)14(19)18(8-17-9)7-6-16-13(10-2-3-10)11-4-5-11/h8,10-11,13,16H,2-7H2,1H3
InChIKeyUBJRQJXKXIJHLI-UHFFFAOYSA-N
XLogP2.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(Dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one
CID 62564456
5-Bromo-3-[2-(hexylamino)ethyl]-6-methylpyrimidin-4-one
CID 66307948
5-Bromo-3-[2-(cyclopentylmethylamino)ethyl]-6-methylpyrimidin-4-one
CID 66308362
5-Bromo-3-[2-(dicyclopropylmethylamino)ethyl]-2-methylpyrimidin-4-one
CID 66308410
5-Bromo-3-[2-(cyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one
CID 66308563
5-Bromo-6-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-4-one
CID 66308774
5-Bromo-6-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one
CID 66308777
5-Bromo-3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one
CID 66308944
5-Bromo-6-methyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidin-4-one
CID 66308990
5-Bromo-6-methyl-3-[2-(4-methylpentylamino)ethyl]pyrimidin-4-one
CID 66308992
5-Bromo-3-[4-(cyclopropylamino)butyl]-6-methylpyrimidin-4-one
CID 66309208
5-Bromo-3-[2-(cyclohexylmethylamino)ethyl]-6-methylpyrimidin-4-one
CID 66309209

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one (CID 66308778) is 5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one is Cc1ncn(CCNC(C2CC2)C2CC2)c(=O)c1Br.
What is the InChIKey of 5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one?
The InChIKey is UBJRQJXKXIJHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-9-12(15)14(19)18(8-17-9)7-6-16-13(10-2-3-10)11-4-5-11/h8,10-11,13,16H,2-7H2,1H3.
What are the key properties of 5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one?
5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one has a molecular weight of 326.24 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 66308778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).