1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea

C22H24N6O — CID 91968160

IUPAC1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
SMILESCc1ccc(NC(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1
InChIInChI=1S/C22H24N6O/c1-17-7-9-18(10-8-17)25-22(29)26-19-15-23-21(24-16-19)28-13-11-27(12-14-28)20-5-3-2-4-6-20/h2-10,15-16H,11-14H2,1H3,(H2,25,26,29)
InChIKeyURHHORBSHRFLKW-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.76
Rot. Bonds4

About 1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea

1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea (PubChem CID 91968160) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
PubChem CID91968160
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
SMILESCc1ccc(NC(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1
InChIInChI=1S/C22H24N6O/c1-17-7-9-18(10-8-17)25-22(29)26-19-15-23-21(24-16-19)28-13-11-27(12-14-28)20-5-3-2-4-6-20/h2-10,15-16H,11-14H2,1H3,(H2,25,26,29)
InChIKeyURHHORBSHRFLKW-UHFFFAOYSA-N
XLogP3.76
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 71790143
4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 91968264
N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109261157
5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 30182677
N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide
CID 122299328
4-methyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984675
1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 121112892
3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91968002
2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
CID 122299278
1-(4-tert-butylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298783
1-(2-morpholin-4-ylpyrimidin-5-yl)-3-(4-propan-2-ylphenyl)urea
CID 155957576
N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107320

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea (CID 91968160) is 1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea is Cc1ccc(NC(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea?
The InChIKey is URHHORBSHRFLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-17-7-9-18(10-8-17)25-22(29)26-19-15-23-21(24-16-19)28-13-11-27(12-14-28)20-5-3-2-4-6-20/h2-10,15-16H,11-14H2,1H3,(H2,25,26,29).
What are the key properties of 1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea?
1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea has a molecular weight of 388.48 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea is sourced from PubChem (CID 91968160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).