1-(2-ethylphenyl)-3-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]urea

C20H28N6O2 — CID 121075703

IUPAC1-(2-ethylphenyl)-3-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]urea
SMILESCCc1ccccc1NC(=O)NCCNc1nc(C)cc(N2CCOCC2)n1
InChIInChI=1S/C20H28N6O2/c1-3-16-6-4-5-7-17(16)24-20(27)22-9-8-21-19-23-15(2)14-18(25-19)26-10-12-28-13-11-26/h4-7,14H,3,8-13H2,1-2H3,(H,21,23,25)(H2,22,24,27)
InChIKeyIREQDIGGBHGZGQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.42
Rot. Bonds7

About 1-(2-ethylphenyl)-3-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]urea

1-(2-ethylphenyl)-3-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]urea (PubChem CID 121075703) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]urea
PubChem CID121075703
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name1-(2-ethylphenyl)-3-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]urea
SMILESCCc1ccccc1NC(=O)NCCNc1nc(C)cc(N2CCOCC2)n1
InChIInChI=1S/C20H28N6O2/c1-3-16-6-4-5-7-17(16)24-20(27)22-9-8-21-19-23-15(2)14-18(25-19)26-10-12-28-13-11-26/h4-7,14H,3,8-13H2,1-2H3,(H,21,23,25)(H2,22,24,27)
InChIKeyIREQDIGGBHGZGQ-UHFFFAOYSA-N
XLogP2.42
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]propanamide
CID 121075210
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075218
1-(3-chloro-4-methylphenyl)-3-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]urea
CID 121075689
1-(1,3-benzodioxol-5-yl)-3-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]urea
CID 121075692
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]naphthalene-2-carboxamide
CID 121075246
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-3-phenylpropanamide
CID 121075251
3-bromo-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075278
4-(dimethylamino)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 122295171
1-(2,4-dimethylphenyl)-3-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]urea
CID 121075665
1-(2,6-difluorophenyl)-3-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]urea
CID 122294845
1-(2-fluorophenyl)-3-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]urea
CID 50945805
N-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325246

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]urea?
The IUPAC name of 1-(2-ethylphenyl)-3-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]urea (CID 121075703) is 1-(2-ethylphenyl)-3-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]urea is CCc1ccccc1NC(=O)NCCNc1nc(C)cc(N2CCOCC2)n1.
What is the InChIKey of 1-(2-ethylphenyl)-3-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]urea?
The InChIKey is IREQDIGGBHGZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-3-16-6-4-5-7-17(16)24-20(27)22-9-8-21-19-23-15(2)14-18(25-19)26-10-12-28-13-11-26/h4-7,14H,3,8-13H2,1-2H3,(H,21,23,25)(H2,22,24,27).
What are the key properties of 1-(2-ethylphenyl)-3-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]urea?
1-(2-ethylphenyl)-3-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]urea has a molecular weight of 384.48 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]urea is sourced from PubChem (CID 121075703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).