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

C20H27N5O2 — CID 56700339

IUPAC2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c(C)c1
InChIInChI=1S/C20H27N5O2/c1-14-4-5-17(15(2)12-14)20(26)22-7-6-21-18-13-19(24-16(3)23-18)25-8-10-27-11-9-25/h4-5,12-13H,6-11H2,1-3H3,(H,22,26)(H,21,23,24)
InChIKeyCAHUSVNZDDZKNP-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.08
Rot. Bonds6

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

2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide (PubChem CID 56700339) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
PubChem CID56700339
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c(C)c1
InChIInChI=1S/C20H27N5O2/c1-14-4-5-17(15(2)12-14)20(26)22-7-6-21-18-13-19(24-16(3)23-18)25-8-10-27-11-9-25/h4-5,12-13H,6-11H2,1-3H3,(H,22,26)(H,21,23,24)
InChIKeyCAHUSVNZDDZKNP-UHFFFAOYSA-N
XLogP2.08
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.08
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-acetyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122294236
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide
CID 50945106
4-chloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700161
4-fluoro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56699188
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 70702870
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethyl)benzamide
CID 50946507
4-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide
CID 122294149
4-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 50945333
3-fluoro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700196
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyridine-2-carboxamide
CID 122294062
2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 70702502
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide
CID 122294170

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide (CID 56700339) is 2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide is Cc1ccc(C(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The InChIKey is CAHUSVNZDDZKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-4-5-17(15(2)12-14)20(26)22-7-6-21-18-13-19(24-16(3)23-18)25-8-10-27-11-9-25/h4-5,12-13H,6-11H2,1-3H3,(H,22,26)(H,21,23,24).
What are the key properties of 2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide?
2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide has a molecular weight of 369.47 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 56700339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).