5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one

C14H21BrN4O — CID 137011850

IUPAC5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one
SMILESCN1CCN(C)C(Cc2nc(C3CC3)c(Br)c(=O)[nH]2)C1
InChIInChI=1S/C14H21BrN4O/c1-18-5-6-19(2)10(8-18)7-11-16-13(9-3-4-9)12(15)14(20)17-11/h9-10H,3-8H2,1-2H3,(H,16,17,20)
InChIKeyDXBCASOSTBWNPE-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.20
Rot. Bonds3

About 5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one

5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one (PubChem CID 137011850) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is 5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one
PubChem CID137011850
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one
SMILESCN1CCN(C)C(Cc2nc(C3CC3)c(Br)c(=O)[nH]2)C1
InChIInChI=1S/C14H21BrN4O/c1-18-5-6-19(2)10(8-18)7-11-16-13(9-3-4-9)12(15)14(20)17-11/h9-10H,3-8H2,1-2H3,(H,16,17,20)
InChIKeyDXBCASOSTBWNPE-UHFFFAOYSA-N
XLogP1.20
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-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

5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propyl-1H-pyrimidin-6-one
CID 137011840
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 137011848
2-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137011861
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480675
5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one
CID 136964464
5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136730223
2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106478000
2-[(1,4-dimethylpiperazin-2-yl)methyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481707
2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine
CID 115415877
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine
CID 115415878
2-benzyl-5-bromo-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729655
5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
CID 136729648

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one (CID 137011850) is 5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one is CN1CCN(C)C(Cc2nc(C3CC3)c(Br)c(=O)[nH]2)C1.
What is the InChIKey of 5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one?
The InChIKey is DXBCASOSTBWNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c1-18-5-6-19(2)10(8-18)7-11-16-13(9-3-4-9)12(15)14(20)17-11/h9-10H,3-8H2,1-2H3,(H,16,17,20).
What are the key properties of 5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one?
5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one has a molecular weight of 341.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137011850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).