4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide

C18H23N5O2 — CID 122325518

IUPAC4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide
SMILESCCNc1nc(C)cc(NCCNC(=O)c2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C18H23N5O2/c1-4-19-18-22-12(2)11-16(23-18)20-9-10-21-17(25)15-7-5-14(6-8-15)13(3)24/h5-8,11H,4,9-10H2,1-3H3,(H,21,25)(H2,19,20,22,23)
InChIKeyCTUHUUJPPOJYID-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.26
Rot. Bonds8

About 4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide

4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide (PubChem CID 122325518) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide
PubChem CID122325518
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide
SMILESCCNc1nc(C)cc(NCCNC(=O)c2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C18H23N5O2/c1-4-19-18-22-12(2)11-16(23-18)20-9-10-21-17(25)15-7-5-14(6-8-15)13(3)24/h5-8,11H,4,9-10H2,1-3H3,(H,21,25)(H2,19,20,22,23)
InChIKeyCTUHUUJPPOJYID-UHFFFAOYSA-N
XLogP2.26
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.26
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

4-bromo-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide
CID 122325605
4-ethyl-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 70703936
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-fluorobenzamide
CID 56699080
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 122324645
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-phenoxybenzamide
CID 122324616
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-methoxybenzamide
CID 70702840
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2,5-dimethylbenzamide
CID 56700210
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide
CID 122324631
4-acetyl-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 122294748
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide
CID 70702932
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide
CID 122325377
4-acetyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 122295005

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide?
The IUPAC name of 4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide (CID 122325518) is 4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide.
What is the SMILES notation for 4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide?
The canonical SMILES for 4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide is CCNc1nc(C)cc(NCCNC(=O)c2ccc(C(C)=O)cc2)n1.
What is the InChIKey of 4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide?
The InChIKey is CTUHUUJPPOJYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-4-19-18-22-12(2)11-16(23-18)20-9-10-21-17(25)15-7-5-14(6-8-15)13(3)24/h5-8,11H,4,9-10H2,1-3H3,(H,21,25)(H2,19,20,22,23).
What are the key properties of 4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide?
4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide has a molecular weight of 341.42 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide is sourced from PubChem (CID 122325518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).