3-[2-methyl-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol

C16H24N4O2 — CID 91763236

IUPAC3-[2-methyl-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(C2CC(O)C2)cc(N2CC(N3CCOCC3)C2)n1
InChIInChI=1S/C16H24N4O2/c1-11-17-15(12-6-14(21)7-12)8-16(18-11)20-9-13(10-20)19-2-4-22-5-3-19/h8,12-14,21H,2-7,9-10H2,1H3
InChIKeyXXOALZZHLJLNDJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.54
Rot. Bonds3

About 3-[2-methyl-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol

3-[2-methyl-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91763236) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[2-methyl-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-methyl-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91763236
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name3-[2-methyl-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(C2CC(O)C2)cc(N2CC(N3CCOCC3)C2)n1
InChIInChI=1S/C16H24N4O2/c1-11-17-15(12-6-14(21)7-12)8-16(18-11)20-9-13(10-20)19-2-4-22-5-3-19/h8,12-14,21H,2-7,9-10H2,1H3
InChIKeyXXOALZZHLJLNDJ-UHFFFAOYSA-N
XLogP0.54
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-methyl-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol (CID 91763236) is 3-[2-methyl-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-methyl-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-methyl-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(C2CC(O)C2)cc(N2CC(N3CCOCC3)C2)n1.
What is the InChIKey of 3-[2-methyl-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is XXOALZZHLJLNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-17-15(12-6-14(21)7-12)8-16(18-11)20-9-13(10-20)19-2-4-22-5-3-19/h8,12-14,21H,2-7,9-10H2,1H3.
What are the key properties of 3-[2-methyl-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-methyl-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 304.39 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91763236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).