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

C9H15BrN4O — CID 136689849

IUPAC4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
SMILESNCCCCCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H15BrN4O/c10-7-8(13-6-14-9(7)15)12-5-3-1-2-4-11/h6H,1-5,11H2,(H2,12,13,14,15)
InChIKeyHSOYKHYRZJASPU-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.07
Rot. Bonds6

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

4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one (PubChem CID 136689849) has the molecular formula C9H15BrN4O and a molecular weight of 275.15 g/mol. Its IUPAC name is 4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
PubChem CID136689849
Molecular FormulaC9H15BrN4O
Molecular Weight275.15 g/mol
Exact Mass274.04
IUPAC Name4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
SMILESNCCCCCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H15BrN4O/c10-7-8(13-6-14-9(7)15)12-5-3-1-2-4-11/h6H,1-5,11H2,(H2,12,13,14,15)
InChIKeyHSOYKHYRZJASPU-UHFFFAOYSA-N
XLogP1.07
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.07
H-Bond Donors ≤ 53
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-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957050
5-bromo-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136957056
5-bromo-2-(pentylamino)-1H-pyrimidin-6-one
CID 68619890
10-bromo-2,3,4,5-tetrahydro-1H-pyrimido[1,6-a][1,3]diazepin-9-one
CID 82386035
4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136689852
4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136689853
5-bromo-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731504
5-bromo-4-(hex-5-ynylamino)-1H-pyrimidin-6-one
CID 136736684
5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752196
4-(6-aminohexylamino)-5-bromo-1H-pyrimidin-6-one
CID 136755775
5-bromo-4-(6-chlorohexylamino)-1H-pyrimidin-6-one
CID 136755789
4-[(1-amino-3-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136757203

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one (CID 136689849) is 4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one is NCCCCCNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one?
The InChIKey is HSOYKHYRZJASPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4O/c10-7-8(13-6-14-9(7)15)12-5-3-1-2-4-11/h6H,1-5,11H2,(H2,12,13,14,15).
What are the key properties of 4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one?
4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one has a molecular weight of 275.15 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 136689849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).