1-[2-(6-methyl-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrimidin-5-yl]-3-phenylurea

C22H20N4O2 — CID 141353895

IUPAC1-[2-(6-methyl-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrimidin-5-yl]-3-phenylurea
SMILESCC1CCc2cc(-c3ncc(NC(=O)Nc4ccccc4)cn3)ccc2C1=O
InChIInChI=1S/C22H20N4O2/c1-14-7-8-15-11-16(9-10-19(15)20(14)27)21-23-12-18(13-24-21)26-22(28)25-17-5-3-2-4-6-17/h2-6,9-14H,7-8H2,1H3,(H2,25,26,28)
InChIKeyQTSLWCXJIUEEPW-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.55
Rot. Bonds3

About 1-[2-(6-methyl-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrimidin-5-yl]-3-phenylurea

1-[2-(6-methyl-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrimidin-5-yl]-3-phenylurea (PubChem CID 141353895) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[2-(6-methyl-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrimidin-5-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(6-methyl-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrimidin-5-yl]-3-phenylurea
PubChem CID141353895
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name1-[2-(6-methyl-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrimidin-5-yl]-3-phenylurea
SMILESCC1CCc2cc(-c3ncc(NC(=O)Nc4ccccc4)cn3)ccc2C1=O
InChIInChI=1S/C22H20N4O2/c1-14-7-8-15-11-16(9-10-19(15)20(14)27)21-23-12-18(13-24-21)26-22(28)25-17-5-3-2-4-6-17/h2-6,9-14H,7-8H2,1H3,(H2,25,26,28)
InChIKeyQTSLWCXJIUEEPW-UHFFFAOYSA-N
XLogP4.55
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methyl-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrimidin-5-yl]-3-phenylurea?
The IUPAC name of 1-[2-(6-methyl-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrimidin-5-yl]-3-phenylurea (CID 141353895) is 1-[2-(6-methyl-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrimidin-5-yl]-3-phenylurea.
What is the SMILES notation for 1-[2-(6-methyl-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrimidin-5-yl]-3-phenylurea?
The canonical SMILES for 1-[2-(6-methyl-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrimidin-5-yl]-3-phenylurea is CC1CCc2cc(-c3ncc(NC(=O)Nc4ccccc4)cn3)ccc2C1=O.
What is the InChIKey of 1-[2-(6-methyl-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrimidin-5-yl]-3-phenylurea?
The InChIKey is QTSLWCXJIUEEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14-7-8-15-11-16(9-10-19(15)20(14)27)21-23-12-18(13-24-21)26-22(28)25-17-5-3-2-4-6-17/h2-6,9-14H,7-8H2,1H3,(H2,25,26,28).
What are the key properties of 1-[2-(6-methyl-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrimidin-5-yl]-3-phenylurea?
1-[2-(6-methyl-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrimidin-5-yl]-3-phenylurea has a molecular weight of 372.43 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methyl-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrimidin-5-yl]-3-phenylurea is sourced from PubChem (CID 141353895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).