4-[2-[(3-methylphenyl)methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide

C25H29N5O2 — CID 95812403

IUPAC4-[2-[(3-methylphenyl)methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
SMILESCc1cccc(CNCCc2nc(N3CCOCC3)ncc2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C25H29N5O2/c1-19-6-5-7-20(16-19)17-26-11-10-23-22(24(31)28-21-8-3-2-4-9-21)18-27-25(29-23)30-12-14-32-15-13-30/h2-9,16,18,26H,10-15,17H2,1H3,(H,28,31)
InChIKeyYMMNIQGBMOCZNT-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.21
Rot. Bonds8

About 4-[2-[(3-methylphenyl)methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide

4-[2-[(3-methylphenyl)methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide (PubChem CID 95812403) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-[2-[(3-methylphenyl)methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[2-[(3-methylphenyl)methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
PubChem CID95812403
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name4-[2-[(3-methylphenyl)methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
SMILESCc1cccc(CNCCc2nc(N3CCOCC3)ncc2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C25H29N5O2/c1-19-6-5-7-20(16-19)17-26-11-10-23-22(24(31)28-21-8-3-2-4-9-21)18-27-25(29-23)30-12-14-32-15-13-30/h2-9,16,18,26H,10-15,17H2,1H3,(H,28,31)
InChIKeyYMMNIQGBMOCZNT-UHFFFAOYSA-N
XLogP3.21
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[[(1S)-cyclohex-3-en-1-yl]methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 92619545
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
2-morpholin-4-yl-4-[2-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-N-phenylpyrimidine-5-carboxamide
CID 92619551
N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959447
N-(3-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504121
4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 66504043
2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164782
N-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 75538788
1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 91967391
2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996829
4-methyl-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 66504104
N-(3-ethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345557

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-methylphenyl)methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-[2-[(3-methylphenyl)methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide (CID 95812403) is 4-[2-[(3-methylphenyl)methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[2-[(3-methylphenyl)methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[2-[(3-methylphenyl)methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide is Cc1cccc(CNCCc2nc(N3CCOCC3)ncc2C(=O)Nc2ccccc2)c1.
What is the InChIKey of 4-[2-[(3-methylphenyl)methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is YMMNIQGBMOCZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-19-6-5-7-20(16-19)17-26-11-10-23-22(24(31)28-21-8-3-2-4-9-21)18-27-25(29-23)30-12-14-32-15-13-30/h2-9,16,18,26H,10-15,17H2,1H3,(H,28,31).
What are the key properties of 4-[2-[(3-methylphenyl)methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide?
4-[2-[(3-methylphenyl)methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-methylphenyl)methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 95812403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).