2-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide

C11H15BrN4O2 — CID 137015626

IUPAC2-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C11H15BrN4O2/c12-9-10(14-6-15-11(9)18)16-3-1-7(2-4-16)5-8(13)17/h6-7H,1-5H2,(H2,13,17)(H,14,15,18)
InChIKeyMSOPJXDEHBCQSF-UHFFFAOYSA-N
MW315.17 g/mol
LogP0.62
Rot. Bonds3

About 2-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide

2-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 137015626) has the molecular formula C11H15BrN4O2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID137015626
Molecular FormulaC11H15BrN4O2
Molecular Weight315.17 g/mol
Exact Mass314.04
IUPAC Name2-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C11H15BrN4O2/c12-9-10(14-6-15-11(9)18)16-3-1-7(2-4-16)5-8(13)17/h6-7H,1-5H2,(H2,13,17)(H,14,15,18)
InChIKeyMSOPJXDEHBCQSF-UHFFFAOYSA-N
XLogP0.62
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide 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
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687959
5-bromo-4-(3-bromo-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749174
5-bromo-4-[4-(1-bromoethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136772459
N-[[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792774
5-bromo-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805331
5-bromo-4-[ethyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805347
5-bromo-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805367
5-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880891
5-bromo-4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136912697
4-[3-(2-aminoethyl)pyrrolidin-1-yl]-5-bromo-1H-pyrimidin-6-one
CID 136929463
5-bromo-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one
CID 136956250

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide (CID 137015626) is 2-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(c2nc[nH]c(=O)c2Br)CC1.
What is the InChIKey of 2-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is MSOPJXDEHBCQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2/c12-9-10(14-6-15-11(9)18)16-3-1-7(2-4-16)5-8(13)17/h6-7H,1-5H2,(H2,13,17)(H,14,15,18).
What are the key properties of 2-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
2-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 315.17 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 137015626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).