1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea

C23H20N4O2 — CID 87044684

IUPAC1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea
SMILESCC(NC(=O)Nc1ccc(Oc2ncccn2)cc1)c1cccc2ccccc12
InChIInChI=1S/C23H20N4O2/c1-16(20-9-4-7-17-6-2-3-8-21(17)20)26-22(28)27-18-10-12-19(13-11-18)29-23-24-14-5-15-25-23/h2-16H,1H3,(H2,26,27,28)
InChIKeyXYWNNHRCZIMEIY-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.30
Rot. Bonds5

About 1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea

1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea (PubChem CID 87044684) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea
PubChem CID87044684
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea
SMILESCC(NC(=O)Nc1ccc(Oc2ncccn2)cc1)c1cccc2ccccc12
InChIInChI=1S/C23H20N4O2/c1-16(20-9-4-7-17-6-2-3-8-21(17)20)26-22(28)27-18-10-12-19(13-11-18)29-23-24-14-5-15-25-23/h2-16H,1H3,(H2,26,27,28)
InChIKeyXYWNNHRCZIMEIY-UHFFFAOYSA-N
XLogP5.30
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657836
1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657834
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887800
N-(4-ethoxyphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397488
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
1-[(1R)-1-naphthalen-1-ylethyl]-3-(8-nitronaphthalen-2-yl)urea
CID 56990515
1-[4-[[4-(hydroxymethyl)phenyl]methylsulfonyl]phenyl]-3-(1-naphthalen-1-ylethyl)urea
CID 130447405
1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea
CID 99785833
1-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 99807610
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
phenyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 102094307
1-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea
CID 3003559

Frequently Asked Questions

What is the IUPAC name of 1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea?
The IUPAC name of 1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea (CID 87044684) is 1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea.
What is the SMILES notation for 1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea?
The canonical SMILES for 1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea is CC(NC(=O)Nc1ccc(Oc2ncccn2)cc1)c1cccc2ccccc12.
What is the InChIKey of 1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea?
The InChIKey is XYWNNHRCZIMEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-16(20-9-4-7-17-6-2-3-8-21(17)20)26-22(28)27-18-10-12-19(13-11-18)29-23-24-14-5-15-25-23/h2-16H,1H3,(H2,26,27,28).
What are the key properties of 1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea?
1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea has a molecular weight of 384.44 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea is sourced from PubChem (CID 87044684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).