3-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one

C14H21N5O3 — CID 91769331

IUPAC3-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one
SMILESNc1nc(NCCN2CCCOC2=O)cc(C2CC(O)C2)n1
InChIInChI=1S/C14H21N5O3/c15-13-17-11(9-6-10(20)7-9)8-12(18-13)16-2-4-19-3-1-5-22-14(19)21/h8-10,20H,1-7H2,(H3,15,16,17,18)
InChIKeyXWOFUDAWKREHEC-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.55
Rot. Bonds5

About 3-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one

3-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one (PubChem CID 91769331) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one
PubChem CID91769331
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name3-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one
SMILESNc1nc(NCCN2CCCOC2=O)cc(C2CC(O)C2)n1
InChIInChI=1S/C14H21N5O3/c15-13-17-11(9-6-10(20)7-9)8-12(18-13)16-2-4-19-3-1-5-22-14(19)21/h8-10,20H,1-7H2,(H3,15,16,17,18)
InChIKeyXWOFUDAWKREHEC-UHFFFAOYSA-N
XLogP0.55
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one (CID 91769331) is 3-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one is Nc1nc(NCCN2CCCOC2=O)cc(C2CC(O)C2)n1.
What is the InChIKey of 3-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one?
The InChIKey is XWOFUDAWKREHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c15-13-17-11(9-6-10(20)7-9)8-12(18-13)16-2-4-19-3-1-5-22-14(19)21/h8-10,20H,1-7H2,(H3,15,16,17,18).
What are the key properties of 3-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one?
3-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one has a molecular weight of 307.35 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 91769331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).