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

Name: 6-[4-(pentylamino)butoxyamino]-1H-pyrimidin-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₂₄N₄O₂ — CID 151594374

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	6-[4-(pentylamino)butoxyamino]-1H-pyrimidin-2-one
PubChem CID	151594374
Molecular Formula	C₁₃H₂₄N₄O₂
Molecular Weight	268.36 g/mol
Exact Mass	268.19
IUPAC Name	6-[4-(pentylamino)butoxyamino]-1H-pyrimidin-2-one
SMILES	CCCCCNCCCCONc1ccnc(=O)[nH]1
InChI	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)
InChIKey	QJDVOUAUMGKKNH-UHFFFAOYSA-N
XLogP	1.67
TPSA	79.04 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	11
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	268.36
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 151594374 — identifiers, structure, computed properties (public domain)

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