[1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone

C14H18N6O2 — CID 163351886

IUPAC[1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone
SMILESCn1cnc2c(N3CC(C(=O)N4CCOCC4)C3)ncnc21
InChIInChI=1S/C14H18N6O2/c1-18-9-17-11-12(18)15-8-16-13(11)20-6-10(7-20)14(21)19-2-4-22-5-3-19/h8-10H,2-7H2,1H3
InChIKeyGPNKYLKMABUFBQ-UHFFFAOYSA-N
MW302.34 g/mol
LogP-0.34
Rot. Bonds2

About [1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone

[1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 163351886) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is [1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone
PubChem CID163351886
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name[1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone
SMILESCn1cnc2c(N3CC(C(=O)N4CCOCC4)C3)ncnc21
InChIInChI=1S/C14H18N6O2/c1-18-9-17-11-12(18)15-8-16-13(11)20-6-10(7-20)14(21)19-2-4-22-5-3-19/h8-10H,2-7H2,1H3
InChIKeyGPNKYLKMABUFBQ-UHFFFAOYSA-N
XLogP-0.34
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone (CID 163351886) is [1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone is Cn1cnc2c(N3CC(C(=O)N4CCOCC4)C3)ncnc21.
What is the InChIKey of [1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is GPNKYLKMABUFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-18-9-17-11-12(18)15-8-16-13(11)20-6-10(7-20)14(21)19-2-4-22-5-3-19/h8-10H,2-7H2,1H3.
What are the key properties of [1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone?
[1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 302.34 g/mol, XLogP of -0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 163351886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).