N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-2-[2-(methylamino)ethyl]pentanamide

C20H28N4O2 — CID 163664210

IUPACN-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-2-[2-(methylamino)ethyl]pentanamide
SMILESCCCC(CCNC)C(=O)Nc1cc(-c2ccccc2OCC)ncn1
InChIInChI=1S/C20H28N4O2/c1-4-8-15(11-12-21-3)20(25)24-19-13-17(22-14-23-19)16-9-6-7-10-18(16)26-5-2/h6-7,9-10,13-15,21H,4-5,8,11-12H2,1-3H3,(H,22,23,24,25)
InChIKeyIWZCSHQJZHJEGC-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.51
Rot. Bonds10

About N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-2-[2-(methylamino)ethyl]pentanamide

N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-2-[2-(methylamino)ethyl]pentanamide (PubChem CID 163664210) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-2-[2-(methylamino)ethyl]pentanamide.

Molecular Properties

Compound NameN-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-2-[2-(methylamino)ethyl]pentanamide
PubChem CID163664210
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-2-[2-(methylamino)ethyl]pentanamide
SMILESCCCC(CCNC)C(=O)Nc1cc(-c2ccccc2OCC)ncn1
InChIInChI=1S/C20H28N4O2/c1-4-8-15(11-12-21-3)20(25)24-19-13-17(22-14-23-19)16-9-6-7-10-18(16)26-5-2/h6-7,9-10,13-15,21H,4-5,8,11-12H2,1-3H3,(H,22,23,24,25)
InChIKeyIWZCSHQJZHJEGC-UHFFFAOYSA-N
XLogP3.51
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-2-[2-(methylamino)ethyl]pentanamide?
The IUPAC name of N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-2-[2-(methylamino)ethyl]pentanamide (CID 163664210) is N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-2-[2-(methylamino)ethyl]pentanamide.
What is the SMILES notation for N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-2-[2-(methylamino)ethyl]pentanamide?
The canonical SMILES for N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-2-[2-(methylamino)ethyl]pentanamide is CCCC(CCNC)C(=O)Nc1cc(-c2ccccc2OCC)ncn1.
What is the InChIKey of N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-2-[2-(methylamino)ethyl]pentanamide?
The InChIKey is IWZCSHQJZHJEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-4-8-15(11-12-21-3)20(25)24-19-13-17(22-14-23-19)16-9-6-7-10-18(16)26-5-2/h6-7,9-10,13-15,21H,4-5,8,11-12H2,1-3H3,(H,22,23,24,25).
What are the key properties of N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-2-[2-(methylamino)ethyl]pentanamide?
N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-2-[2-(methylamino)ethyl]pentanamide has a molecular weight of 356.47 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-2-[2-(methylamino)ethyl]pentanamide is sourced from PubChem (CID 163664210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).