1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-naphthalen-2-ylurea

C26H21N5O2 — CID 122309272

IUPAC1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-naphthalen-2-ylurea
SMILESCc1nc(Oc2ccc(NC(=O)Nc3ccc4ccccc4c3)cc2)cc(-n2cccc2)n1
InChIInChI=1S/C26H21N5O2/c1-18-27-24(31-14-4-5-15-31)17-25(28-18)33-23-12-10-21(11-13-23)29-26(32)30-22-9-8-19-6-2-3-7-20(19)16-22/h2-17H,1H3,(H2,29,30,32)
InChIKeyDFCSCAZIAPMSPN-UHFFFAOYSA-N
MW435.49 g/mol
LogP6.17
Rot. Bonds5

About 1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-naphthalen-2-ylurea

1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-naphthalen-2-ylurea (PubChem CID 122309272) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-naphthalen-2-ylurea
PubChem CID122309272
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC Name1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-naphthalen-2-ylurea
SMILESCc1nc(Oc2ccc(NC(=O)Nc3ccc4ccccc4c3)cc2)cc(-n2cccc2)n1
InChIInChI=1S/C26H21N5O2/c1-18-27-24(31-14-4-5-15-31)17-25(28-18)33-23-12-10-21(11-13-23)29-26(32)30-22-9-8-19-6-2-3-7-20(19)16-22/h2-17H,1H3,(H2,29,30,32)
InChIKeyDFCSCAZIAPMSPN-UHFFFAOYSA-N
XLogP6.17
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.49
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-2-carboxamide
CID 122309228
1-(3,4-dimethoxyphenyl)-3-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309542
1-(2-chlorophenyl)-3-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309284
1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 122309349
1-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-naphthalen-2-ylurea
CID 122310783
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-4-phenoxybenzamide
CID 122309414
2-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309202
4-tert-butyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309207
2-ethoxy-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-carboxamide
CID 122309380
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide
CID 122309355
2-(2,4-difluorophenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309445
3-(3-methylphenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide
CID 122309450

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-naphthalen-2-ylurea?
The IUPAC name of 1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-naphthalen-2-ylurea (CID 122309272) is 1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-naphthalen-2-ylurea?
The canonical SMILES for 1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-naphthalen-2-ylurea is Cc1nc(Oc2ccc(NC(=O)Nc3ccc4ccccc4c3)cc2)cc(-n2cccc2)n1.
What is the InChIKey of 1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-naphthalen-2-ylurea?
The InChIKey is DFCSCAZIAPMSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c1-18-27-24(31-14-4-5-15-31)17-25(28-18)33-23-12-10-21(11-13-23)29-26(32)30-22-9-8-19-6-2-3-7-20(19)16-22/h2-17H,1H3,(H2,29,30,32).
What are the key properties of 1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-naphthalen-2-ylurea?
1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-naphthalen-2-ylurea has a molecular weight of 435.49 g/mol, XLogP of 6.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 122309272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).