1-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-3-phenylazetidin-3-ol

C16H19N3O3 — CID 138999238

IUPAC1-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-3-phenylazetidin-3-ol
SMILESCOCc1nc(OC)cc(N2CC(O)(c3ccccc3)C2)n1
InChIInChI=1S/C16H19N3O3/c1-21-9-13-17-14(8-15(18-13)22-2)19-10-16(20,11-19)12-6-4-3-5-7-12/h3-8,20H,9-11H2,1-2H3
InChIKeySOROAZBMJPANRV-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.34
Rot. Bonds5

About 1-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-3-phenylazetidin-3-ol

1-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-3-phenylazetidin-3-ol (PubChem CID 138999238) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-3-phenylazetidin-3-ol.

Molecular Properties

Compound Name1-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-3-phenylazetidin-3-ol
PubChem CID138999238
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-3-phenylazetidin-3-ol
SMILESCOCc1nc(OC)cc(N2CC(O)(c3ccccc3)C2)n1
InChIInChI=1S/C16H19N3O3/c1-21-9-13-17-14(8-15(18-13)22-2)19-10-16(20,11-19)12-6-4-3-5-7-12/h3-8,20H,9-11H2,1-2H3
InChIKeySOROAZBMJPANRV-UHFFFAOYSA-N
XLogP1.34
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-3-phenylazetidin-3-ol?
The IUPAC name of 1-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-3-phenylazetidin-3-ol (CID 138999238) is 1-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-3-phenylazetidin-3-ol.
What is the SMILES notation for 1-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-3-phenylazetidin-3-ol?
The canonical SMILES for 1-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-3-phenylazetidin-3-ol is COCc1nc(OC)cc(N2CC(O)(c3ccccc3)C2)n1.
What is the InChIKey of 1-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-3-phenylazetidin-3-ol?
The InChIKey is SOROAZBMJPANRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-9-13-17-14(8-15(18-13)22-2)19-10-16(20,11-19)12-6-4-3-5-7-12/h3-8,20H,9-11H2,1-2H3.
What are the key properties of 1-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-3-phenylazetidin-3-ol?
1-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-3-phenylazetidin-3-ol has a molecular weight of 301.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-3-phenylazetidin-3-ol is sourced from PubChem (CID 138999238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).