2-cyclopropyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one

C13H21N3O2 — CID 114586392

IUPAC2-cyclopropyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
SMILESCC(C)NCCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H21N3O2/c1-9(2)14-6-3-7-18-12-8-11(17)15-13(16-12)10-4-5-10/h8-10,14H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyJYVIIXZSNYRHNJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.41
Rot. Bonds7

About 2-cyclopropyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one

2-cyclopropyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one (PubChem CID 114586392) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
PubChem CID114586392
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-cyclopropyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
SMILESCC(C)NCCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H21N3O2/c1-9(2)14-6-3-7-18-12-8-11(17)15-13(16-12)10-4-5-10/h8-10,14H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyJYVIIXZSNYRHNJ-UHFFFAOYSA-N
XLogP1.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.41
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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Related Compounds

2-Cyclopropyl-6-methoxypyrimidin-4(1H)-one
CID 12945281
2-Cyclopropyl-6-ethoxypyrimidin-4(1H)-one
CID 12945284
2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one
CID 12945288
4-Hydroxy-2-cyclopropyl-6-(iso-propoxy)pyrimidine
CID 12945289
2-Isopropyl-6-propoxypyrimidin-4(1H)-one
CID 45117379
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 102741496
2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741497
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 102741502
4-(2-butoxyethoxy)-2-cyclopropyl-1H-pyrimidin-6-one
CID 103240432
2-cyclopropyl-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240582
2-cyclopropyl-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240606
2-cyclopropyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
CID 103240662

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one (CID 114586392) is 2-cyclopropyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one is CC(C)NCCCOc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one?
The InChIKey is JYVIIXZSNYRHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)14-6-3-7-18-12-8-11(17)15-13(16-12)10-4-5-10/h8-10,14H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).