4-cyano-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide

C17H20N6O — CID 122295422

IUPAC4-cyano-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
SMILESCc1cc(N(C)C)nc(NCCNC(=O)c2ccc(C#N)cc2)n1
InChIInChI=1S/C17H20N6O/c1-12-10-15(23(2)3)22-17(21-12)20-9-8-19-16(24)14-6-4-13(11-18)5-7-14/h4-7,10H,8-9H2,1-3H3,(H,19,24)(H,20,21,22)
InChIKeyKILNFKQOQXIGSP-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.56
Rot. Bonds6

About 4-cyano-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide

4-cyano-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide (PubChem CID 122295422) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-cyano-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
PubChem CID122295422
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name4-cyano-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
SMILESCc1cc(N(C)C)nc(NCCNC(=O)c2ccc(C#N)cc2)n1
InChIInChI=1S/C17H20N6O/c1-12-10-15(23(2)3)22-17(21-12)20-9-8-19-16(24)14-6-4-13(11-18)5-7-14/h4-7,10H,8-9H2,1-3H3,(H,19,24)(H,20,21,22)
InChIKeyKILNFKQOQXIGSP-UHFFFAOYSA-N
XLogP1.56
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.56
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

3-cyano-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 122295423
4-(dimethylamino)-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 122295420
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide
CID 50947492
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,5-dimethylbenzamide
CID 121075329
3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 50944592
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2,2-dimethylpropanamide
CID 121075291
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]quinoxaline-2-carboxamide
CID 122295415
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 122295416
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 122295436
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-1-methyltriazole-4-carboxamide
CID 122295428
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122295413
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-fluorobenzamide
CID 56699080

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide (CID 122295422) is 4-cyano-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide is Cc1cc(N(C)C)nc(NCCNC(=O)c2ccc(C#N)cc2)n1.
What is the InChIKey of 4-cyano-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide?
The InChIKey is KILNFKQOQXIGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-10-15(23(2)3)22-17(21-12)20-9-8-19-16(24)14-6-4-13(11-18)5-7-14/h4-7,10H,8-9H2,1-3H3,(H,19,24)(H,20,21,22).
What are the key properties of 4-cyano-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide?
4-cyano-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide has a molecular weight of 324.39 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 122295422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).