2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one

C11H18N2O3 — CID 136678766

IUPAC2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one
SMILESCOCCCc1cc(=O)[nH]c(CCOC)n1
InChIInChI=1S/C11H18N2O3/c1-15-6-3-4-9-8-11(14)13-10(12-9)5-7-16-2/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyPSWBDJVJRFBEJJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.54
Rot. Bonds7

About 2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one

2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one (PubChem CID 136678766) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one
PubChem CID136678766
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one
SMILESCOCCCc1cc(=O)[nH]c(CCOC)n1
InChIInChI=1S/C11H18N2O3/c1-15-6-3-4-9-8-11(14)13-10(12-9)5-7-16-2/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyPSWBDJVJRFBEJJ-UHFFFAOYSA-N
XLogP0.54
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one (CID 136678766) is 2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one is COCCCc1cc(=O)[nH]c(CCOC)n1.
What is the InChIKey of 2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one?
The InChIKey is PSWBDJVJRFBEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-15-6-3-4-9-8-11(14)13-10(12-9)5-7-16-2/h8H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one?
2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136678766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).