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

C10H14N2O3 — CID 103240662

IUPAC2-cyclopropyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
SMILESCOCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C10H14N2O3/c1-14-4-5-15-9-6-8(13)11-10(12-9)7-2-3-7/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeyWWXNZOPPDVRVHB-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.67
Rot. Bonds5

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

2-cyclopropyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one (PubChem CID 103240662) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
PubChem CID103240662
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-cyclopropyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
SMILESCOCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C10H14N2O3/c1-14-4-5-15-9-6-8(13)11-10(12-9)7-2-3-7/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeyWWXNZOPPDVRVHB-UHFFFAOYSA-N
XLogP0.67
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.67
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-methoxyethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one (CID 103240662) is 2-cyclopropyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one is COCCOc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one?
The InChIKey is WWXNZOPPDVRVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-14-4-5-15-9-6-8(13)11-10(12-9)7-2-3-7/h6-7H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 2-cyclopropyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one has a molecular weight of 210.23 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).