5-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide

C9H13BrN4O2 — CID 136880891

IUPAC5-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H13BrN4O2/c10-7-8(13-5-14-9(7)16)12-4-2-1-3-6(11)15/h5H,1-4H2,(H2,11,15)(H2,12,13,14,16)
InChIKeyBPFBIBGKAGBCRY-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.60
Rot. Bonds6

About 5-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide

5-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide (PubChem CID 136880891) has the molecular formula C9H13BrN4O2 and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
PubChem CID136880891
Molecular FormulaC9H13BrN4O2
Molecular Weight289.13 g/mol
Exact Mass288.02
IUPAC Name5-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H13BrN4O2/c10-7-8(13-5-14-9(7)16)12-4-2-1-3-6(11)15/h5H,1-4H2,(H2,11,15)(H2,12,13,14,16)
InChIKeyBPFBIBGKAGBCRY-UHFFFAOYSA-N
XLogP0.60
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide 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

4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 136689849
4-(6-aminohexylamino)-5-bromo-1H-pyrimidin-6-one
CID 136755775
4-[5-aminopentyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136829854
5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880884
5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880885
5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880887
5-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880890
4-(4-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 136902398
5-bromo-4-(butylamino)-1H-pyrimidin-6-one
CID 136955949
5-bromo-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955956
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136956111
4-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136956165

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
The IUPAC name of 5-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide (CID 136880891) is 5-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide.
What is the SMILES notation for 5-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
The canonical SMILES for 5-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide is NC(=O)CCCCNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
The InChIKey is BPFBIBGKAGBCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O2/c10-7-8(13-5-14-9(7)16)12-4-2-1-3-6(11)15/h5H,1-4H2,(H2,11,15)(H2,12,13,14,16).
What are the key properties of 5-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
5-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide has a molecular weight of 289.13 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide is sourced from PubChem (CID 136880891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).