1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-ethylazetidin-3-ol

C15H25N3O2 — CID 133497888

IUPAC1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-ethylazetidin-3-ol
SMILESCCC1(O)CN(c2cc(COC)nc(C(C)(C)C)n2)C1
InChIInChI=1S/C15H25N3O2/c1-6-15(19)9-18(10-15)12-7-11(8-20-5)16-13(17-12)14(2,3)4/h7,19H,6,8-10H2,1-5H3
InChIKeyATMDPEJEJNRGPR-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.88
Rot. Bonds4

About 1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-ethylazetidin-3-ol

1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-ethylazetidin-3-ol (PubChem CID 133497888) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-ethylazetidin-3-ol.

Molecular Properties

Compound Name1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-ethylazetidin-3-ol
PubChem CID133497888
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-ethylazetidin-3-ol
SMILESCCC1(O)CN(c2cc(COC)nc(C(C)(C)C)n2)C1
InChIInChI=1S/C15H25N3O2/c1-6-15(19)9-18(10-15)12-7-11(8-20-5)16-13(17-12)14(2,3)4/h7,19H,6,8-10H2,1-5H3
InChIKeyATMDPEJEJNRGPR-UHFFFAOYSA-N
XLogP1.88
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-ethylazetidin-3-ol?
The IUPAC name of 1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-ethylazetidin-3-ol (CID 133497888) is 1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-ethylazetidin-3-ol.
What is the SMILES notation for 1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-ethylazetidin-3-ol?
The canonical SMILES for 1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-ethylazetidin-3-ol is CCC1(O)CN(c2cc(COC)nc(C(C)(C)C)n2)C1.
What is the InChIKey of 1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-ethylazetidin-3-ol?
The InChIKey is ATMDPEJEJNRGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-6-15(19)9-18(10-15)12-7-11(8-20-5)16-13(17-12)14(2,3)4/h7,19H,6,8-10H2,1-5H3.
What are the key properties of 1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-ethylazetidin-3-ol?
1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-ethylazetidin-3-ol has a molecular weight of 279.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-ethylazetidin-3-ol is sourced from PubChem (CID 133497888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).