5-bromo-4-(4-methylpentylamino)-1H-pyrimidin-6-one

C10H16BrN3O — CID 136956260

IUPAC5-bromo-4-(4-methylpentylamino)-1H-pyrimidin-6-one
SMILESCC(C)CCCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O/c1-7(2)4-3-5-12-9-8(11)10(15)14-6-13-9/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyHXTFFRPMLPNGEU-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.38
Rot. Bonds5

About 5-bromo-4-(4-methylpentylamino)-1H-pyrimidin-6-one

5-bromo-4-(4-methylpentylamino)-1H-pyrimidin-6-one (PubChem CID 136956260) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-4-(4-methylpentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(4-methylpentylamino)-1H-pyrimidin-6-one
PubChem CID136956260
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name5-bromo-4-(4-methylpentylamino)-1H-pyrimidin-6-one
SMILESCC(C)CCCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O/c1-7(2)4-3-5-12-9-8(11)10(15)14-6-13-9/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyHXTFFRPMLPNGEU-UHFFFAOYSA-N
XLogP2.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
5-Bromo-3-[2-(4-methylpentylamino)ethyl]pyrimidin-4-one
CID 66308945
4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 136689849
5-bromo-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701816
5-bromo-4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701824
5-bromo-4-[2-(2-chloroethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704116
5-bromo-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716229
5-bromo-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723586
5-bromo-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750468
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-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757526

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-methylpentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(4-methylpentylamino)-1H-pyrimidin-6-one (CID 136956260) is 5-bromo-4-(4-methylpentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(4-methylpentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(4-methylpentylamino)-1H-pyrimidin-6-one is CC(C)CCCNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(4-methylpentylamino)-1H-pyrimidin-6-one?
The InChIKey is HXTFFRPMLPNGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-7(2)4-3-5-12-9-8(11)10(15)14-6-13-9/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-(4-methylpentylamino)-1H-pyrimidin-6-one?
5-bromo-4-(4-methylpentylamino)-1H-pyrimidin-6-one has a molecular weight of 274.16 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-methylpentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).