[6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-diethylcarbamate

C17H21N3O3 — CID 2730254

IUPAC[6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc(COC)nc(-c2ccccc2)n1
InChIInChI=1S/C17H21N3O3/c1-4-20(5-2)17(21)23-15-11-14(12-22-3)18-16(19-15)13-9-7-6-8-10-13/h6-11H,4-5,12H2,1-3H3
InChIKeyMXHDAIMFAASUKL-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.13
Rot. Bonds6

About [6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-diethylcarbamate

[6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-diethylcarbamate (PubChem CID 2730254) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is [6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-diethylcarbamate
PubChem CID2730254
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name[6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc(COC)nc(-c2ccccc2)n1
InChIInChI=1S/C17H21N3O3/c1-4-20(5-2)17(21)23-15-11-14(12-22-3)18-16(19-15)13-9-7-6-8-10-13/h6-11H,4-5,12H2,1-3H3
InChIKeyMXHDAIMFAASUKL-UHFFFAOYSA-N
XLogP3.13
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-diethylcarbamate?
The IUPAC name of [6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-diethylcarbamate (CID 2730254) is [6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-diethylcarbamate.
What is the SMILES notation for [6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-diethylcarbamate?
The canonical SMILES for [6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1cc(COC)nc(-c2ccccc2)n1.
What is the InChIKey of [6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-diethylcarbamate?
The InChIKey is MXHDAIMFAASUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-4-20(5-2)17(21)23-15-11-14(12-22-3)18-16(19-15)13-9-7-6-8-10-13/h6-11H,4-5,12H2,1-3H3.
What are the key properties of [6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-diethylcarbamate?
[6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-diethylcarbamate has a molecular weight of 315.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-diethylcarbamate is sourced from PubChem (CID 2730254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).