[5-(oxetan-3-yloxy)-2-pyridinyl]methyl N-(1-pyrimidin-2-ylethyl)carbamate

C16H18N4O4 — CID 166710032

IUPAC[5-(oxetan-3-yloxy)-2-pyridinyl]methyl N-(1-pyrimidin-2-ylethyl)carbamate
SMILESCC(NC(=O)OCc1ccc(OC2COC2)cn1)c1ncccn1
InChIInChI=1S/C16H18N4O4/c1-11(15-17-5-2-6-18-15)20-16(21)23-8-12-3-4-13(7-19-12)24-14-9-22-10-14/h2-7,11,14H,8-10H2,1H3,(H,20,21)
InChIKeyHZFWQMLESBERDO-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.64
Rot. Bonds6

About [5-(oxetan-3-yloxy)-2-pyridinyl]methyl N-(1-pyrimidin-2-ylethyl)carbamate

[5-(oxetan-3-yloxy)-2-pyridinyl]methyl N-(1-pyrimidin-2-ylethyl)carbamate (PubChem CID 166710032) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is [5-(oxetan-3-yloxy)-2-pyridinyl]methyl N-(1-pyrimidin-2-ylethyl)carbamate.

Molecular Properties

Compound Name[5-(oxetan-3-yloxy)-2-pyridinyl]methyl N-(1-pyrimidin-2-ylethyl)carbamate
PubChem CID166710032
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name[5-(oxetan-3-yloxy)-2-pyridinyl]methyl N-(1-pyrimidin-2-ylethyl)carbamate
SMILESCC(NC(=O)OCc1ccc(OC2COC2)cn1)c1ncccn1
InChIInChI=1S/C16H18N4O4/c1-11(15-17-5-2-6-18-15)20-16(21)23-8-12-3-4-13(7-19-12)24-14-9-22-10-14/h2-7,11,14H,8-10H2,1H3,(H,20,21)
InChIKeyHZFWQMLESBERDO-UHFFFAOYSA-N
XLogP1.64
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(oxetan-3-yloxy)-2-pyridinyl]methyl N-(1-pyrimidin-2-ylethyl)carbamate?
The IUPAC name of [5-(oxetan-3-yloxy)-2-pyridinyl]methyl N-(1-pyrimidin-2-ylethyl)carbamate (CID 166710032) is [5-(oxetan-3-yloxy)-2-pyridinyl]methyl N-(1-pyrimidin-2-ylethyl)carbamate.
What is the SMILES notation for [5-(oxetan-3-yloxy)-2-pyridinyl]methyl N-(1-pyrimidin-2-ylethyl)carbamate?
The canonical SMILES for [5-(oxetan-3-yloxy)-2-pyridinyl]methyl N-(1-pyrimidin-2-ylethyl)carbamate is CC(NC(=O)OCc1ccc(OC2COC2)cn1)c1ncccn1.
What is the InChIKey of [5-(oxetan-3-yloxy)-2-pyridinyl]methyl N-(1-pyrimidin-2-ylethyl)carbamate?
The InChIKey is HZFWQMLESBERDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-11(15-17-5-2-6-18-15)20-16(21)23-8-12-3-4-13(7-19-12)24-14-9-22-10-14/h2-7,11,14H,8-10H2,1H3,(H,20,21).
What are the key properties of [5-(oxetan-3-yloxy)-2-pyridinyl]methyl N-(1-pyrimidin-2-ylethyl)carbamate?
[5-(oxetan-3-yloxy)-2-pyridinyl]methyl N-(1-pyrimidin-2-ylethyl)carbamate has a molecular weight of 330.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxetan-3-yloxy)-2-pyridinyl]methyl N-(1-pyrimidin-2-ylethyl)carbamate is sourced from PubChem (CID 166710032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).