5-bromo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one

C12H19BrN4O — CID 136956293

IUPAC5-bromo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCC1CCN(CCNc2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C12H19BrN4O/c1-9-2-5-17(6-3-9)7-4-14-11-10(13)12(18)16-8-15-11/h8-9H,2-7H2,1H3,(H2,14,15,16,18)
InChIKeyWPRRGRZUINOVLR-UHFFFAOYSA-N
MW315.22 g/mol
LogP1.68
Rot. Bonds4

About 5-bromo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one

5-bromo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136956293) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 5-bromo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136956293
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name5-bromo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCC1CCN(CCNc2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C12H19BrN4O/c1-9-2-5-17(6-3-9)7-4-14-11-10(13)12(18)16-8-15-11/h8-9H,2-7H2,1H3,(H2,14,15,16,18)
InChIKeyWPRRGRZUINOVLR-UHFFFAOYSA-N
XLogP1.68
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-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-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137015677
5-Bromo-6-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 66308118
5-Bromo-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 66309551
5-Bromo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one
CID 105061178
5-Bromo-6-methyl-3-(2-piperidin-4-ylethyl)pyrimidin-4-one
CID 113675699
5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
5-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568288
5-bromo-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716229
5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731876
5-bromo-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733817
5-bromo-4-(3-bromo-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749174
4-(3-bromo-4-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136749175

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one (CID 136956293) is 5-bromo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one is CC1CCN(CCNc2nc[nH]c(=O)c2Br)CC1.
What is the InChIKey of 5-bromo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is WPRRGRZUINOVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-9-2-5-17(6-3-9)7-4-14-11-10(13)12(18)16-8-15-11/h8-9H,2-7H2,1H3,(H2,14,15,16,18).
What are the key properties of 5-bromo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one?
5-bromo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 315.22 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).