[5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-diethylcarbamate

C20H26N4O3 — CID 2730750

IUPAC[5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1nc(-c2ccccn2)nc(COC)c1CC1CC1
InChIInChI=1S/C20H26N4O3/c1-4-24(5-2)20(25)27-19-15(12-14-9-10-14)17(13-26-3)22-18(23-19)16-8-6-7-11-21-16/h6-8,11,14H,4-5,9-10,12-13H2,1-3H3
InChIKeyZVSSMDFPRPUODT-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.48
Rot. Bonds8

About [5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-diethylcarbamate

[5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-diethylcarbamate (PubChem CID 2730750) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is [5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-diethylcarbamate
PubChem CID2730750
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name[5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1nc(-c2ccccn2)nc(COC)c1CC1CC1
InChIInChI=1S/C20H26N4O3/c1-4-24(5-2)20(25)27-19-15(12-14-9-10-14)17(13-26-3)22-18(23-19)16-8-6-7-11-21-16/h6-8,11,14H,4-5,9-10,12-13H2,1-3H3
InChIKeyZVSSMDFPRPUODT-UHFFFAOYSA-N
XLogP3.48
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-diethylcarbamate?
The IUPAC name of [5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-diethylcarbamate (CID 2730750) is [5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-diethylcarbamate.
What is the SMILES notation for [5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-diethylcarbamate?
The canonical SMILES for [5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1nc(-c2ccccn2)nc(COC)c1CC1CC1.
What is the InChIKey of [5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-diethylcarbamate?
The InChIKey is ZVSSMDFPRPUODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-24(5-2)20(25)27-19-15(12-14-9-10-14)17(13-26-3)22-18(23-19)16-8-6-7-11-21-16/h6-8,11,14H,4-5,9-10,12-13H2,1-3H3.
What are the key properties of [5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-diethylcarbamate?
[5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-diethylcarbamate has a molecular weight of 370.45 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-diethylcarbamate is sourced from PubChem (CID 2730750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).