1-(2,5-dimethylphenyl)-3-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]urea

C24H28N6O2 — CID 27487435

IUPAC1-(2,5-dimethylphenyl)-3-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]urea
SMILESCc1ccc(C)c(NC(=O)Nc2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)c1
InChIInChI=1S/C24H28N6O2/c1-16-4-5-17(2)21(14-16)28-24(31)27-20-8-6-19(7-9-20)26-23-25-18(3)15-22(29-23)30-10-12-32-13-11-30/h4-9,14-15H,10-13H2,1-3H3,(H,25,26,29)(H2,27,28,31)
InChIKeyBMZCDVZZZPSUFE-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.63
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-3-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]urea

1-(2,5-dimethylphenyl)-3-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]urea (PubChem CID 27487435) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]urea
PubChem CID27487435
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name1-(2,5-dimethylphenyl)-3-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]urea
SMILESCc1ccc(C)c(NC(=O)Nc2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)c1
InChIInChI=1S/C24H28N6O2/c1-16-4-5-17(2)21(14-16)28-24(31)27-20-8-6-19(7-9-20)26-23-25-18(3)15-22(29-23)30-10-12-32-13-11-30/h4-9,14-15H,10-13H2,1-3H3,(H,25,26,29)(H2,27,28,31)
InChIKeyBMZCDVZZZPSUFE-UHFFFAOYSA-N
XLogP4.63
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(2,5-dimethylphenyl)-3-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]urea with MolForge

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Related Compounds

6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine
CID 11963546
N-[4-[2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl]phenyl]ethanamide
CID 24877326
4-(4-Morpholinyl)-2-phenylquinazoline
CID 675225
Diethyl-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 6457762
4-Quinazolinamine, 2-(4-morpholinyl)-
CID 660065
2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 1091839
N-(2-(4-Morpholinyl)ethyl)-2-phenyl-4-quinazolinamine
CID 675240
6-Ethyl-5-[1-(3-methoxypropyl)-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine
CID 23628221
N-{2-[7-(2,4-diamino-6-ethylpyrimidin-5-yl)-1,2,3,4-tetrahydroquinolin-1-yl]ethyl}acetamide
CID 23628222
6-Ethyl-5-[1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine
CID 23647915
N-[4-[(4-morpholin-4-ylquinazolin-2-yl)carbamoylamino]phenyl]acetamide
CID 162670614
N-(2,4-dimethylphenyl)-6-methyl-2-(4-morpholinyl)-4-pyrimidinamine
CID 697257

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]urea (CID 27487435) is 1-(2,5-dimethylphenyl)-3-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]urea is Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]urea?
The InChIKey is BMZCDVZZZPSUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-16-4-5-17(2)21(14-16)28-24(31)27-20-8-6-19(7-9-20)26-23-25-18(3)15-22(29-23)30-10-12-32-13-11-30/h4-9,14-15H,10-13H2,1-3H3,(H,25,26,29)(H2,27,28,31).
What are the key properties of 1-(2,5-dimethylphenyl)-3-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]urea?
1-(2,5-dimethylphenyl)-3-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]urea has a molecular weight of 432.53 g/mol, XLogP of 4.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]urea is sourced from PubChem (CID 27487435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).