1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea

C19H26N6O2 — CID 47049542

IUPAC1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H26N6O2/c1-2-27-17-6-4-16(5-7-17)23-19(26)22-10-11-24-12-14-25(15-13-24)18-20-8-3-9-21-18/h3-9H,2,10-15H2,1H3,(H2,22,23,26)
InChIKeyQBURMIAZBQZOTM-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.82
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea

1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea (PubChem CID 47049542) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
PubChem CID47049542
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H26N6O2/c1-2-27-17-6-4-16(5-7-17)23-19(26)22-10-11-24-12-14-25(15-13-24)18-20-8-3-9-21-18/h3-9H,2,10-15H2,1H3,(H2,22,23,26)
InChIKeyQBURMIAZBQZOTM-UHFFFAOYSA-N
XLogP1.82
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 51118566
2-(4-propanoylphenoxy)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 55932425
N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6465380
N-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide
CID 133404758
ethyl 4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]benzoate
CID 109030572
1-(4-ethoxyphenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea
CID 51129471
1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)urea
CID 769372
N'-(4-ethoxyphenyl)-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]oxamide
CID 6737810
1-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 55818891
1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021931
3-ethoxy-5-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 55930778
(2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide
CID 119902328

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea (CID 47049542) is 1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea is CCOc1ccc(NC(=O)NCCN2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea?
The InChIKey is QBURMIAZBQZOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-2-27-17-6-4-16(5-7-17)23-19(26)22-10-11-24-12-14-25(15-13-24)18-20-8-3-9-21-18/h3-9H,2,10-15H2,1H3,(H2,22,23,26).
What are the key properties of 1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea?
1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea has a molecular weight of 370.46 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea is sourced from PubChem (CID 47049542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).