5-amino-4-[4-(5-aminopentyl)piperazin-1-yl]-1H-pyrimidin-6-one

C13H24N6O — CID 136972675

IUPAC5-amino-4-[4-(5-aminopentyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNCCCCCN1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C13H24N6O/c14-4-2-1-3-5-18-6-8-19(9-7-18)12-11(15)13(20)17-10-16-12/h10H,1-9,14-15H2,(H,16,17,20)
InChIKeyZMIXMAIXQPEZOG-UHFFFAOYSA-N
MW280.38 g/mol
LogP-0.40
Rot. Bonds6

About 5-amino-4-[4-(5-aminopentyl)piperazin-1-yl]-1H-pyrimidin-6-one

5-amino-4-[4-(5-aminopentyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136972675) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 5-amino-4-[4-(5-aminopentyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[4-(5-aminopentyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136972675
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name5-amino-4-[4-(5-aminopentyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNCCCCCN1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C13H24N6O/c14-4-2-1-3-5-18-6-8-19(9-7-18)12-11(15)13(20)17-10-16-12/h10H,1-9,14-15H2,(H,16,17,20)
InChIKeyZMIXMAIXQPEZOG-UHFFFAOYSA-N
XLogP-0.40
TPSA104.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
5-amino-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136990019
5-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009572
5-amino-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009794
5-amino-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137016592
2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one
CID 135584213
2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 135850741
4-amino-5-piperidin-1-yl-1H-pyrimidin-6-one
CID 136343863
4-(methylamino)-5-(octylamino)-1H-pyrimidin-6-one
CID 136348154
2,5-diamino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136418258
4-amino-5-(pentylamino)-1H-pyrimidin-6-one
CID 136423385

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[4-(5-aminopentyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[4-(5-aminopentyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136972675) is 5-amino-4-[4-(5-aminopentyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[4-(5-aminopentyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[4-(5-aminopentyl)piperazin-1-yl]-1H-pyrimidin-6-one is NCCCCCN1CCN(c2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-[4-(5-aminopentyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is ZMIXMAIXQPEZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c14-4-2-1-3-5-18-6-8-19(9-7-18)12-11(15)13(20)17-10-16-12/h10H,1-9,14-15H2,(H,16,17,20).
What are the key properties of 5-amino-4-[4-(5-aminopentyl)piperazin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[4-(5-aminopentyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 280.38 g/mol, XLogP of -0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[4-(5-aminopentyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136972675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).