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

C13H19N3O2 — CID 136690724

IUPAC4-(2-but-3-enoxyethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESC=CCCOCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H19N3O2/c1-2-3-7-18-8-6-14-11-9-12(17)16-13(15-11)10-4-5-10/h2,9-10H,1,3-8H2,(H2,14,15,16,17)
InChIKeyCPHAGIRTTLCFGK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.65
Rot. Bonds8

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

4-(2-but-3-enoxyethylamino)-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136690724) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(2-but-3-enoxyethylamino)-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-but-3-enoxyethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136690724
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-(2-but-3-enoxyethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESC=CCCOCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H19N3O2/c1-2-3-7-18-8-6-14-11-9-12(17)16-13(15-11)10-4-5-10/h2,9-10H,1,3-8H2,(H2,14,15,16,17)
InChIKeyCPHAGIRTTLCFGK-UHFFFAOYSA-N
XLogP1.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.65
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

2-cyclopropyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975763
2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136999738
4-(2-but-3-enoxyethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136690720
4-(2-but-3-enoxyethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136690722
4-(2-but-3-enoxyethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136690729
2-cyclopropyl-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
CID 136713915
4-[3-(2-aminoethoxy)propylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136730546
2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764968
4-[2-(cyclopropylmethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136764982
4-[2-(cyclopropylmethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136764985
2-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805710
2-cyclopropyl-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820291

Frequently Asked Questions

What is the IUPAC name of 4-(2-but-3-enoxyethylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-but-3-enoxyethylamino)-2-cyclopropyl-1H-pyrimidin-6-one (CID 136690724) is 4-(2-but-3-enoxyethylamino)-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-but-3-enoxyethylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-but-3-enoxyethylamino)-2-cyclopropyl-1H-pyrimidin-6-one is C=CCCOCCNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-(2-but-3-enoxyethylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is CPHAGIRTTLCFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-3-7-18-8-6-14-11-9-12(17)16-13(15-11)10-4-5-10/h2,9-10H,1,3-8H2,(H2,14,15,16,17).
What are the key properties of 4-(2-but-3-enoxyethylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
4-(2-but-3-enoxyethylamino)-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 1.65, 8 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)-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136690724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).