2-cyclopropyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one

C13H20N2O3 — CID 106451667

IUPAC2-cyclopropyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCC(C)COCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H20N2O3/c1-9(2)8-17-5-6-18-12-7-11(16)14-13(15-12)10-3-4-10/h7,9-10H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyUAEDPNWEULZMKM-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.70
Rot. Bonds7

About 2-cyclopropyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one

2-cyclopropyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one (PubChem CID 106451667) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
PubChem CID106451667
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-cyclopropyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCC(C)COCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H20N2O3/c1-9(2)8-17-5-6-18-12-7-11(16)14-13(15-12)10-3-4-10/h7,9-10H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyUAEDPNWEULZMKM-UHFFFAOYSA-N
XLogP1.70
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.70
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-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one (CID 106451667) is 2-cyclopropyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one is CC(C)COCCOc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is UAEDPNWEULZMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)8-17-5-6-18-12-7-11(16)14-13(15-12)10-3-4-10/h7,9-10H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-cyclopropyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 252.31 g/mol, XLogP of 1.70, 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-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 106451667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).