6-ethoxy-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide

C16H19N3O3 — CID 91816276

IUPAC6-ethoxy-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)NCCc2ccccc2OC)ncn1
InChIInChI=1S/C16H19N3O3/c1-3-22-15-10-13(18-11-19-15)16(20)17-9-8-12-6-4-5-7-14(12)21-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,20)
InChIKeyNAHHFDVWOGPJIF-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.86
Rot. Bonds7

About 6-ethoxy-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide

6-ethoxy-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 91816276) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-ethoxy-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID91816276
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name6-ethoxy-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)NCCc2ccccc2OC)ncn1
InChIInChI=1S/C16H19N3O3/c1-3-22-15-10-13(18-11-19-15)16(20)17-9-8-12-6-4-5-7-14(12)21-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,20)
InChIKeyNAHHFDVWOGPJIF-UHFFFAOYSA-N
XLogP1.86
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-ethoxy-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide (CID 91816276) is 6-ethoxy-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-ethoxy-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide is CCOc1cc(C(=O)NCCc2ccccc2OC)ncn1.
What is the InChIKey of 6-ethoxy-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is NAHHFDVWOGPJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-22-15-10-13(18-11-19-15)16(20)17-9-8-12-6-4-5-7-14(12)21-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,20).
What are the key properties of 6-ethoxy-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
6-ethoxy-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 91816276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).