1-(2-ethoxyphenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea

C17H21N5O2 — CID 71794965

IUPAC1-(2-ethoxyphenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea
SMILESCCOc1ccccc1NC(=O)Nc1cc(N2CCCC2)ncn1
InChIInChI=1S/C17H21N5O2/c1-2-24-14-8-4-3-7-13(14)20-17(23)21-15-11-16(19-12-18-15)22-9-5-6-10-22/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H2,18,19,20,21,23)
InChIKeyUHXPCAYEZPEALA-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.12
Rot. Bonds5

About 1-(2-ethoxyphenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea

1-(2-ethoxyphenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea (PubChem CID 71794965) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea
PubChem CID71794965
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-(2-ethoxyphenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea
SMILESCCOc1ccccc1NC(=O)Nc1cc(N2CCCC2)ncn1
InChIInChI=1S/C17H21N5O2/c1-2-24-14-8-4-3-7-13(14)20-17(23)21-15-11-16(19-12-18-15)22-9-5-6-10-22/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H2,18,19,20,21,23)
InChIKeyUHXPCAYEZPEALA-UHFFFAOYSA-N
XLogP3.12
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea (CID 71794965) is 1-(2-ethoxyphenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea is CCOc1ccccc1NC(=O)Nc1cc(N2CCCC2)ncn1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea?
The InChIKey is UHXPCAYEZPEALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-2-24-14-8-4-3-7-13(14)20-17(23)21-15-11-16(19-12-18-15)22-9-5-6-10-22/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H2,18,19,20,21,23).
What are the key properties of 1-(2-ethoxyphenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea?
1-(2-ethoxyphenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea has a molecular weight of 327.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea is sourced from PubChem (CID 71794965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).