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

C15H17N3O3 — CID 2730251

IUPAC[6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-dimethylcarbamate
SMILESCOCc1cc(OC(=O)N(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C15H17N3O3/c1-18(2)15(19)21-13-9-12(10-20-3)16-14(17-13)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3
InChIKeyDNCIWZQKSJFWPT-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.35
Rot. Bonds4

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

[6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-dimethylcarbamate (PubChem CID 2730251) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is [6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-dimethylcarbamate
PubChem CID2730251
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name[6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-dimethylcarbamate
SMILESCOCc1cc(OC(=O)N(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C15H17N3O3/c1-18(2)15(19)21-13-9-12(10-20-3)16-14(17-13)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3
InChIKeyDNCIWZQKSJFWPT-UHFFFAOYSA-N
XLogP2.35
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.35
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-dimethylcarbamate?
The IUPAC name of [6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-dimethylcarbamate (CID 2730251) is [6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-dimethylcarbamate?
The canonical SMILES for [6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-dimethylcarbamate is COCc1cc(OC(=O)N(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of [6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-dimethylcarbamate?
The InChIKey is DNCIWZQKSJFWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18(2)15(19)21-13-9-12(10-20-3)16-14(17-13)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3.
What are the key properties of [6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-dimethylcarbamate?
[6-(methoxymethyl)-2-phenylpyrimidin-4-yl] N,N-dimethylcarbamate has a molecular weight of 287.32 g/mol, XLogP of 2.35, 4 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-dimethylcarbamate is sourced from PubChem (CID 2730251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).