2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]ethylcarbamic acid

C20H20N4O2 — CID 69077782

IUPAC2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]ethylcarbamic acid
SMILESO=C(O)NCCC1CN(c2nccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C20H20N4O2/c25-20(26)22-9-7-14-12-24(13-14)19-21-10-8-18(23-19)17-6-5-15-3-1-2-4-16(15)11-17/h1-6,8,10-11,14,22H,7,9,12-13H2,(H,25,26)
InChIKeyUHLGNSODXFTDNG-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.39
Rot. Bonds5

About 2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]ethylcarbamic acid

2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]ethylcarbamic acid (PubChem CID 69077782) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]ethylcarbamic acid
PubChem CID69077782
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]ethylcarbamic acid
SMILESO=C(O)NCCC1CN(c2nccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C20H20N4O2/c25-20(26)22-9-7-14-12-24(13-14)19-21-10-8-18(23-19)17-6-5-15-3-1-2-4-16(15)11-17/h1-6,8,10-11,14,22H,7,9,12-13H2,(H,25,26)
InChIKeyUHLGNSODXFTDNG-UHFFFAOYSA-N
XLogP3.39
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]ethylcarbamic acid (CID 69077782) is 2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]ethylcarbamic acid is O=C(O)NCCC1CN(c2nccc(-c3ccc4ccccc4c3)n2)C1.
What is the InChIKey of 2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]ethylcarbamic acid?
The InChIKey is UHLGNSODXFTDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(26)22-9-7-14-12-24(13-14)19-21-10-8-18(23-19)17-6-5-15-3-1-2-4-16(15)11-17/h1-6,8,10-11,14,22H,7,9,12-13H2,(H,25,26).
What are the key properties of 2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]ethylcarbamic acid?
2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]ethylcarbamic acid has a molecular weight of 348.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]ethylcarbamic acid is sourced from PubChem (CID 69077782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).