4-[2-(ethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one

C9H15N3O3 — CID 114586330

IUPAC4-[2-(ethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCCNCCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C9H15N3O3/c1-3-10-4-5-15-9-7(14-2)8(13)11-6-12-9/h6,10H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyODQKDQBDQIBDQV-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.23
Rot. Bonds6

About 4-[2-(ethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one

4-[2-(ethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 114586330) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-[2-(ethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(ethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
PubChem CID114586330
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4-[2-(ethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCCNCCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C9H15N3O3/c1-3-10-4-5-15-9-7(14-2)8(13)11-6-12-9/h6,10H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyODQKDQBDQIBDQV-UHFFFAOYSA-N
XLogP-0.23
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Pyrimidinol, 5-ethoxy-
CID 3050570
5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240548
5-methoxy-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241789
4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241904
5-methoxy-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241914
5-methoxy-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241926
5-methoxy-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 113792594
4-[2-(2,2-difluoroethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136896829
5-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975766
4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137267632
5-butoxy-4-hydroxy-1H-pyrimidin-6-one
CID 69937300
5-ethoxy-4-hydroxy-1H-pyrimidin-6-one
CID 130718959

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(ethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one (CID 114586330) is 4-[2-(ethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(ethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(ethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one is CCNCCOc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[2-(ethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is ODQKDQBDQIBDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-10-4-5-15-9-7(14-2)8(13)11-6-12-9/h6,10H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 4-[2-(ethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one?
4-[2-(ethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 213.24 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).