4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one

C10H15N3O2 — CID 136690727

IUPAC4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one
SMILESC=CCCOCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O2/c1-2-3-5-15-6-4-11-9-7-10(14)13-8-12-9/h2,7-8H,1,3-6H2,(H2,11,12,13,14)
InChIKeyJQRFYPCVRFPDHA-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.77
Rot. Bonds7

About 4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one

4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one (PubChem CID 136690727) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one
PubChem CID136690727
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one
SMILESC=CCCOCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O2/c1-2-3-5-15-6-4-11-9-7-10(14)13-8-12-9/h2,7-8H,1,3-6H2,(H2,11,12,13,14)
InChIKeyJQRFYPCVRFPDHA-UHFFFAOYSA-N
XLogP0.77
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Morpholinopyrimidin-4-ol
CID 136128233
4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136896834
4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956681
4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one
CID 137138532
4-(2-but-3-enoxyethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136690720
5-amino-4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one
CID 136690721
4-(2-but-3-enoxyethylamino)-5-chloro-1H-pyrimidin-6-one
CID 136690723
4-(2-but-3-enoxyethylamino)-5-iodo-1H-pyrimidin-6-one
CID 136690725
5-bromo-4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one
CID 136690728
4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730539
4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136764980
2-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805713

Frequently Asked Questions

What is the IUPAC name of 4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one (CID 136690727) is 4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one is C=CCCOCCNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is JQRFYPCVRFPDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-3-5-15-6-4-11-9-7-10(14)13-8-12-9/h2,7-8H,1,3-6H2,(H2,11,12,13,14).
What are the key properties of 4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one?
4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136690727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).