5-bromo-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one

C14H23BrN4O — CID 136956210

IUPAC5-bromo-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one
SMILESCN(CCCNc1nc[nH]c(=O)c1Br)C1CCCCC1
InChIInChI=1S/C14H23BrN4O/c1-19(11-6-3-2-4-7-11)9-5-8-16-13-12(15)14(20)18-10-17-13/h10-11H,2-9H2,1H3,(H2,16,17,18,20)
InChIKeyOUYMKGYRCHEYOT-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.60
Rot. Bonds6

About 5-bromo-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one

5-bromo-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one (PubChem CID 136956210) has the molecular formula C14H23BrN4O and a molecular weight of 343.27 g/mol. Its IUPAC name is 5-bromo-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one
PubChem CID136956210
Molecular FormulaC14H23BrN4O
Molecular Weight343.27 g/mol
Exact Mass342.11
IUPAC Name5-bromo-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one
SMILESCN(CCCNc1nc[nH]c(=O)c1Br)C1CCCCC1
InChIInChI=1S/C14H23BrN4O/c1-19(11-6-3-2-4-7-11)9-5-8-16-13-12(15)14(20)18-10-17-13/h10-11H,2-9H2,1H3,(H2,16,17,18,20)
InChIKeyOUYMKGYRCHEYOT-UHFFFAOYSA-N
XLogP2.60
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
CID 177234056
5-Bromo-3-[3-(cyclohexylamino)propyl]-2-methylpyrimidin-4-one
CID 66307787
5-Bromo-3-[3-(cyclohexylamino)propyl]pyrimidin-4-one
CID 66308105
5-Bromo-3-[3-(cyclohexylamino)propyl]-6-methylpyrimidin-4-one
CID 66308151
5-Bromo-6-methyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 66308960
5-Bromo-3-[2-(cyclohexylamino)ethyl]-6-methylpyrimidin-4-one
CID 66309844
4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 136689849
5-bromo-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731504
5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752196
4-(6-aminohexylamino)-5-bromo-1H-pyrimidin-6-one
CID 136755775
4-[(1-amino-3-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136757203
5-bromo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778295

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one (CID 136956210) is 5-bromo-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one is CN(CCCNc1nc[nH]c(=O)c1Br)C1CCCCC1.
What is the InChIKey of 5-bromo-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one?
The InChIKey is OUYMKGYRCHEYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4O/c1-19(11-6-3-2-4-7-11)9-5-8-16-13-12(15)14(20)18-10-17-13/h10-11H,2-9H2,1H3,(H2,16,17,18,20).
What are the key properties of 5-bromo-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one?
5-bromo-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one has a molecular weight of 343.27 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).