[1-(2,4-dimethylpyrimidine-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone

C15H20N4O3 — CID 92631816

IUPAC[1-(2,4-dimethylpyrimidine-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ncc(C(=O)N2CC(C(=O)N3CCOCC3)C2)c(C)n1
InChIInChI=1S/C15H20N4O3/c1-10-13(7-16-11(2)17-10)15(21)19-8-12(9-19)14(20)18-3-5-22-6-4-18/h7,12H,3-6,8-9H2,1-2H3
InChIKeyLJKVIQOOLDCUSN-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.02
Rot. Bonds2

About [1-(2,4-dimethylpyrimidine-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone

[1-(2,4-dimethylpyrimidine-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 92631816) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is [1-(2,4-dimethylpyrimidine-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2,4-dimethylpyrimidine-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone
PubChem CID92631816
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name[1-(2,4-dimethylpyrimidine-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ncc(C(=O)N2CC(C(=O)N3CCOCC3)C2)c(C)n1
InChIInChI=1S/C15H20N4O3/c1-10-13(7-16-11(2)17-10)15(21)19-8-12(9-19)14(20)18-3-5-22-6-4-18/h7,12H,3-6,8-9H2,1-2H3
InChIKeyLJKVIQOOLDCUSN-UHFFFAOYSA-N
XLogP0.02
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethylpyrimidine-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2,4-dimethylpyrimidine-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone (CID 92631816) is [1-(2,4-dimethylpyrimidine-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2,4-dimethylpyrimidine-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2,4-dimethylpyrimidine-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone is Cc1ncc(C(=O)N2CC(C(=O)N3CCOCC3)C2)c(C)n1.
What is the InChIKey of [1-(2,4-dimethylpyrimidine-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is LJKVIQOOLDCUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-10-13(7-16-11(2)17-10)15(21)19-8-12(9-19)14(20)18-3-5-22-6-4-18/h7,12H,3-6,8-9H2,1-2H3.
What are the key properties of [1-(2,4-dimethylpyrimidine-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone?
[1-(2,4-dimethylpyrimidine-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 304.35 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethylpyrimidine-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 92631816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).