cyclobutyl-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone

C17H24N4O3 — CID 53185892

IUPACcyclobutyl-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(Oc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C17H24N4O3/c22-17(13-2-1-3-13)21-5-4-14(11-21)24-16-10-15(18-12-19-16)20-6-8-23-9-7-20/h10,12-14H,1-9,11H2
InChIKeyXRHVWHONJIKKQR-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.09
Rot. Bonds4

About cyclobutyl-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone

cyclobutyl-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 53185892) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is cyclobutyl-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
PubChem CID53185892
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Namecyclobutyl-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(Oc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C17H24N4O3/c22-17(13-2-1-3-13)21-5-4-14(11-21)24-16-10-15(18-12-19-16)20-6-8-23-9-7-20/h10,12-14H,1-9,11H2
InChIKeyXRHVWHONJIKKQR-UHFFFAOYSA-N
XLogP1.09
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone (CID 53185892) is cyclobutyl-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone is O=C(C1CCC1)N1CCC(Oc2cc(N3CCOCC3)ncn2)C1.
What is the InChIKey of cyclobutyl-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is XRHVWHONJIKKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-17(13-2-1-3-13)21-5-4-14(11-21)24-16-10-15(18-12-19-16)20-6-8-23-9-7-20/h10,12-14H,1-9,11H2.
What are the key properties of cyclobutyl-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
cyclobutyl-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 332.40 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 53185892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).