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

C12H19N3O2 — CID 114586383

IUPAC2-cyclopropyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCC(C)NCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H19N3O2/c1-8(2)13-5-6-17-11-7-10(16)14-12(15-11)9-3-4-9/h7-9,13H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyFVZDWYGAGWUBEE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.02
Rot. Bonds6

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

2-cyclopropyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one (PubChem CID 114586383) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
PubChem CID114586383
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-cyclopropyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCC(C)NCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H19N3O2/c1-8(2)13-5-6-17-11-7-10(16)14-12(15-11)9-3-4-9/h7-9,13H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyFVZDWYGAGWUBEE-UHFFFAOYSA-N
XLogP1.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
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-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one (CID 114586383) is 2-cyclopropyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one is CC(C)NCCOc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is FVZDWYGAGWUBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)13-5-6-17-11-7-10(16)14-12(15-11)9-3-4-9/h7-9,13H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 2-cyclopropyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).