6-[4-(pentylamino)butoxyamino]-1H-pyrimidin-2-one

C13H24N4O2 — CID 151594374

IUPAC6-[4-(pentylamino)butoxyamino]-1H-pyrimidin-2-one
SMILESCCCCCNCCCCONc1ccnc(=O)[nH]1
InChIInChI=1S/C13H24N4O2/c1-2-3-4-8-14-9-5-6-11-19-17-12-7-10-15-13(18)16-12/h7,10,14H,2-6,8-9,11H2,1H3,(H2,15,16,17,18)
InChIKeyQJDVOUAUMGKKNH-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.67
Rot. Bonds11

About 6-[4-(pentylamino)butoxyamino]-1H-pyrimidin-2-one

6-[4-(pentylamino)butoxyamino]-1H-pyrimidin-2-one (PubChem CID 151594374) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-[4-(pentylamino)butoxyamino]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[4-(pentylamino)butoxyamino]-1H-pyrimidin-2-one
PubChem CID151594374
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name6-[4-(pentylamino)butoxyamino]-1H-pyrimidin-2-one
SMILESCCCCCNCCCCONc1ccnc(=O)[nH]1
InChIInChI=1S/C13H24N4O2/c1-2-3-4-8-14-9-5-6-11-19-17-12-7-10-15-13(18)16-12/h7,10,14H,2-6,8-9,11H2,1H3,(H2,15,16,17,18)
InChIKeyQJDVOUAUMGKKNH-UHFFFAOYSA-N
XLogP1.67
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

heptyl [(2-oxo-1H-pyrimidin-6-yl)amino] carbonate
CID 130409232
6-(aminomethylamino)-1H-pyrimidin-2-one
CID 150921149
N-(2-pyridin-4-ylethyl)heptan-1-amine
CID 60904179
N-butyl-5-(2-chlorophenoxy)pentan-1-amine
CID 2247459
N'-(4-heptoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807015
N-[2-(2,4,6-tribromophenoxy)ethyl]hexan-1-amine
CID 63507010
6-(ethynylamino)-1H-pyrimidin-2-one
CID 90023101
N-octoxyaniline
CID 53446638
N-butyl-5-(4-methoxyphenoxy)pentan-1-amine
CID 2248889
4-[4-(butylamino)butoxy]phenol
CID 54220189
N-butyl-4-(4-iodophenoxy)butan-1-amine
CID 2247309
sulfanium;N-decyldecan-1-amine;chloride
CID 158756952

Frequently Asked Questions

What is the IUPAC name of 6-[4-(pentylamino)butoxyamino]-1H-pyrimidin-2-one?
The IUPAC name of 6-[4-(pentylamino)butoxyamino]-1H-pyrimidin-2-one (CID 151594374) is 6-[4-(pentylamino)butoxyamino]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[4-(pentylamino)butoxyamino]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[4-(pentylamino)butoxyamino]-1H-pyrimidin-2-one is CCCCCNCCCCONc1ccnc(=O)[nH]1.
What is the InChIKey of 6-[4-(pentylamino)butoxyamino]-1H-pyrimidin-2-one?
The InChIKey is QJDVOUAUMGKKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-2-3-4-8-14-9-5-6-11-19-17-12-7-10-15-13(18)16-12/h7,10,14H,2-6,8-9,11H2,1H3,(H2,15,16,17,18).
What are the key properties of 6-[4-(pentylamino)butoxyamino]-1H-pyrimidin-2-one?
6-[4-(pentylamino)butoxyamino]-1H-pyrimidin-2-one has a molecular weight of 268.36 g/mol, XLogP of 1.67, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(pentylamino)butoxyamino]-1H-pyrimidin-2-one is sourced from PubChem (CID 151594374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).