4-(dimethylamino)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide

C20H28N6O2 — CID 122295171

IUPAC4-(dimethylamino)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
SMILESCc1cc(N2CCOCC2)nc(NCCNC(=O)c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C20H28N6O2/c1-15-14-18(26-10-12-28-13-11-26)24-20(23-15)22-9-8-21-19(27)16-4-6-17(7-5-16)25(2)3/h4-7,14H,8-13H2,1-3H3,(H,21,27)(H,22,23,24)
InChIKeyBRGNZOIEHHGZOP-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.53
Rot. Bonds7

About 4-(dimethylamino)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide

4-(dimethylamino)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide (PubChem CID 122295171) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
PubChem CID122295171
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name4-(dimethylamino)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
SMILESCc1cc(N2CCOCC2)nc(NCCNC(=O)c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C20H28N6O2/c1-15-14-18(26-10-12-28-13-11-26)24-20(23-15)22-9-8-21-19(27)16-4-6-17(7-5-16)25(2)3/h4-7,14H,8-13H2,1-3H3,(H,21,27)(H,22,23,24)
InChIKeyBRGNZOIEHHGZOP-UHFFFAOYSA-N
XLogP1.53
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075218
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]-4-pentoxybenzamide
CID 122295213
3-bromo-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075278
3,4,5-trimethoxy-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075232
4-acetyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 122295005
2-methyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]propanamide
CID 121075210
4-(dimethylamino)-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 122295420
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-3-nitrobenzamide
CID 121075284
2,4-dimethyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 121075270
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-3-(trifluoromethoxy)benzamide
CID 122295200
2-chloro-4-fluoro-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075261

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide (CID 122295171) is 4-(dimethylamino)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide is Cc1cc(N2CCOCC2)nc(NCCNC(=O)c2ccc(N(C)C)cc2)n1.
What is the InChIKey of 4-(dimethylamino)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide?
The InChIKey is BRGNZOIEHHGZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-15-14-18(26-10-12-28-13-11-26)24-20(23-15)22-9-8-21-19(27)16-4-6-17(7-5-16)25(2)3/h4-7,14H,8-13H2,1-3H3,(H,21,27)(H,22,23,24).
What are the key properties of 4-(dimethylamino)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide?
4-(dimethylamino)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 122295171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).