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

C15H23N5O2 — CID 91773002

IUPAC3-[2-amino-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(C2CC(O)C2)cc(N2CC(N3CCOCC3)C2)n1
InChIInChI=1S/C15H23N5O2/c16-15-17-13(10-5-12(21)6-10)7-14(18-15)20-8-11(9-20)19-1-3-22-4-2-19/h7,10-12,21H,1-6,8-9H2,(H2,16,17,18)
InChIKeyVLALGDISSHHQAC-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.18
Rot. Bonds3

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

3-[2-amino-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91773002) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[2-amino-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91773002
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name3-[2-amino-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(C2CC(O)C2)cc(N2CC(N3CCOCC3)C2)n1
InChIInChI=1S/C15H23N5O2/c16-15-17-13(10-5-12(21)6-10)7-14(18-15)20-8-11(9-20)19-1-3-22-4-2-19/h7,10-12,21H,1-6,8-9H2,(H2,16,17,18)
InChIKeyVLALGDISSHHQAC-UHFFFAOYSA-N
XLogP-0.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol (CID 91773002) is 3-[2-amino-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol is Nc1nc(C2CC(O)C2)cc(N2CC(N3CCOCC3)C2)n1.
What is the InChIKey of 3-[2-amino-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is VLALGDISSHHQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c16-15-17-13(10-5-12(21)6-10)7-14(18-15)20-8-11(9-20)19-1-3-22-4-2-19/h7,10-12,21H,1-6,8-9H2,(H2,16,17,18).
What are the key properties of 3-[2-amino-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 305.38 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91773002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).