5-bromo-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one

C12H19BrN4O — CID 136780755

IUPAC5-bromo-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
SMILESCN(CC1(N(C)C)CCC1)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C12H19BrN4O/c1-16(2)12(5-4-6-12)7-17(3)10-9(13)11(18)15-8-14-10/h8H,4-7H2,1-3H3,(H,14,15,18)
InChIKeyAOOCJRLPNPWKFK-UHFFFAOYSA-N
MW315.22 g/mol
LogP1.45
Rot. Bonds4

About 5-bromo-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one

5-bromo-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one (PubChem CID 136780755) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 5-bromo-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
PubChem CID136780755
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name5-bromo-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
SMILESCN(CC1(N(C)C)CCC1)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C12H19BrN4O/c1-16(2)12(5-4-6-12)7-17(3)10-9(13)11(18)15-8-14-10/h8H,4-7H2,1-3H3,(H,14,15,18)
InChIKeyAOOCJRLPNPWKFK-UHFFFAOYSA-N
XLogP1.45
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-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-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716229
4-[(1-amino-3-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136757203
5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
CID 136780736
4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136780737
4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
CID 136780738
5-bromo-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
CID 136780739
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136780756
5-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
CID 136780757
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
CID 136780760
5-bromo-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781020
5-bromo-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one
CID 136800368
4-[(2-amino-3-ethylpentyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136817755

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one (CID 136780755) is 5-bromo-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one is CN(CC1(N(C)C)CCC1)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one?
The InChIKey is AOOCJRLPNPWKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-16(2)12(5-4-6-12)7-17(3)10-9(13)11(18)15-8-14-10/h8H,4-7H2,1-3H3,(H,14,15,18).
What are the key properties of 5-bromo-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one?
5-bromo-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one has a molecular weight of 315.22 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136780755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).