2-cyclopropyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one

C12H18N2O3 — CID 103241659

IUPAC2-cyclopropyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one
SMILESCCCOCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H18N2O3/c1-2-5-16-6-7-17-11-8-10(15)13-12(14-11)9-3-4-9/h8-9H,2-7H2,1H3,(H,13,14,15)
InChIKeyFRNLDJGPYJVFTB-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.45
Rot. Bonds7

About 2-cyclopropyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one

2-cyclopropyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one (PubChem CID 103241659) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one
PubChem CID103241659
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-cyclopropyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one
SMILESCCCOCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H18N2O3/c1-2-5-16-6-7-17-11-8-10(15)13-12(14-11)9-3-4-9/h8-9H,2-7H2,1H3,(H,13,14,15)
InChIKeyFRNLDJGPYJVFTB-UHFFFAOYSA-N
XLogP1.45
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.45
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-cyclopropyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one (CID 103241659) is 2-cyclopropyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one is CCCOCCOc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one?
The InChIKey is FRNLDJGPYJVFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-5-16-6-7-17-11-8-10(15)13-12(14-11)9-3-4-9/h8-9H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 2-cyclopropyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).