1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-3-(4-propan-2-ylphenyl)azetidin-3-ol

C19H23N3O2 — CID 166365672

IUPAC1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-3-(4-propan-2-ylphenyl)azetidin-3-ol
SMILESCC(C)c1ccc(C2(O)CN(c3ncnc4c3COCC4)C2)cc1
InChIInChI=1S/C19H23N3O2/c1-13(2)14-3-5-15(6-4-14)19(23)10-22(11-19)18-16-9-24-8-7-17(16)20-12-21-18/h3-6,12-13,23H,7-11H2,1-2H3
InChIKeyJYNVWCRQGLYOCD-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.38
Rot. Bonds3

About 1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-3-(4-propan-2-ylphenyl)azetidin-3-ol

1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-3-(4-propan-2-ylphenyl)azetidin-3-ol (PubChem CID 166365672) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-3-(4-propan-2-ylphenyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-3-(4-propan-2-ylphenyl)azetidin-3-ol
PubChem CID166365672
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-3-(4-propan-2-ylphenyl)azetidin-3-ol
SMILESCC(C)c1ccc(C2(O)CN(c3ncnc4c3COCC4)C2)cc1
InChIInChI=1S/C19H23N3O2/c1-13(2)14-3-5-15(6-4-14)19(23)10-22(11-19)18-16-9-24-8-7-17(16)20-12-21-18/h3-6,12-13,23H,7-11H2,1-2H3
InChIKeyJYNVWCRQGLYOCD-UHFFFAOYSA-N
XLogP2.38
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-3-(4-propan-2-ylphenyl)azetidin-3-ol?
The IUPAC name of 1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-3-(4-propan-2-ylphenyl)azetidin-3-ol (CID 166365672) is 1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-3-(4-propan-2-ylphenyl)azetidin-3-ol.
What is the SMILES notation for 1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-3-(4-propan-2-ylphenyl)azetidin-3-ol?
The canonical SMILES for 1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-3-(4-propan-2-ylphenyl)azetidin-3-ol is CC(C)c1ccc(C2(O)CN(c3ncnc4c3COCC4)C2)cc1.
What is the InChIKey of 1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-3-(4-propan-2-ylphenyl)azetidin-3-ol?
The InChIKey is JYNVWCRQGLYOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(2)14-3-5-15(6-4-14)19(23)10-22(11-19)18-16-9-24-8-7-17(16)20-12-21-18/h3-6,12-13,23H,7-11H2,1-2H3.
What are the key properties of 1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-3-(4-propan-2-ylphenyl)azetidin-3-ol?
1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-3-(4-propan-2-ylphenyl)azetidin-3-ol has a molecular weight of 325.41 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-3-(4-propan-2-ylphenyl)azetidin-3-ol is sourced from PubChem (CID 166365672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).