5-bromo-6-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one

C10H14BrN3O — CID 102819831

IUPAC5-bromo-6-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(C[C@H]2CCCN2)c(=O)c1Br
InChIInChI=1S/C10H14BrN3O/c1-7-9(11)10(15)14(6-13-7)5-8-3-2-4-12-8/h6,8,12H,2-5H2,1H3/t8-/m1/s1
InChIKeyMYRNCTJWTYPZGW-MRVPVSSYSA-N
MW272.15 g/mol
LogP1.07
Rot. Bonds2

About 5-bromo-6-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one

5-bromo-6-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one (PubChem CID 102819831) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
PubChem CID102819831
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-6-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(C[C@H]2CCCN2)c(=O)c1Br
InChIInChI=1S/C10H14BrN3O/c1-7-9(11)10(15)14(6-13-7)5-8-3-2-4-12-8/h6,8,12H,2-5H2,1H3/t8-/m1/s1
InChIKeyMYRNCTJWTYPZGW-MRVPVSSYSA-N
XLogP1.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-6-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-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

6-Methyl-3-[(pyrrolidin-2-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 61685918
5-Bromo-3-[2-(hexylamino)ethyl]-6-methylpyrimidin-4-one
CID 66307948
3-(2-Aminoethyl)-5-bromo-6-methylpyrimidin-4-one
CID 66308111
5-Bromo-6-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
CID 66308120
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 66308122
5-Bromo-6-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 66308142
5-Bromo-3-[3-(cyclohexylamino)propyl]-6-methylpyrimidin-4-one
CID 66308151
5-Bromo-6-methyl-3-[2-(pentylamino)ethyl]pyrimidin-4-one
CID 66308152
5-Bromo-2-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
CID 66308165
5-Bromo-3-[2-(cyclopentylmethylamino)ethyl]-6-methylpyrimidin-4-one
CID 66308362
5-Bromo-6-methyl-3-(pyrrolidin-3-ylmethyl)pyrimidin-4-one
CID 66308535
5-Bromo-6-methyl-3-[4-(propan-2-ylamino)butyl]pyrimidin-4-one
CID 66308566

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one (CID 102819831) is 5-bromo-6-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one is Cc1ncn(C[C@H]2CCCN2)c(=O)c1Br.
What is the InChIKey of 5-bromo-6-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one?
The InChIKey is MYRNCTJWTYPZGW-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-7-9(11)10(15)14(6-13-7)5-8-3-2-4-12-8/h6,8,12H,2-5H2,1H3/t8-/m1/s1.
What are the key properties of 5-bromo-6-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one?
5-bromo-6-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one has a molecular weight of 272.15 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 102819831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).