N-methyl-2-[3-[[4-[(2-phenylcyclopropyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide

C21H22N6O — CID 23536741

IUPACN-methyl-2-[3-[[4-[(2-phenylcyclopropyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCNC(=O)Cc1cccc(Nc2ncnc(NC3CC3c3ccccc3)n2)c1
InChIInChI=1S/C21H22N6O/c1-22-19(28)11-14-6-5-9-16(10-14)25-20-23-13-24-21(27-20)26-18-12-17(18)15-7-3-2-4-8-15/h2-10,13,17-18H,11-12H2,1H3,(H,22,28)(H2,23,24,25,26,27)
InChIKeyHMWPGLHYVLUDSE-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.87
Rot. Bonds7

About N-methyl-2-[3-[[4-[(2-phenylcyclopropyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide

N-methyl-2-[3-[[4-[(2-phenylcyclopropyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 23536741) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-methyl-2-[3-[[4-[(2-phenylcyclopropyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-[[4-[(2-phenylcyclopropyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID23536741
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-methyl-2-[3-[[4-[(2-phenylcyclopropyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCNC(=O)Cc1cccc(Nc2ncnc(NC3CC3c3ccccc3)n2)c1
InChIInChI=1S/C21H22N6O/c1-22-19(28)11-14-6-5-9-16(10-14)25-20-23-13-24-21(27-20)26-18-12-17(18)15-7-3-2-4-8-15/h2-10,13,17-18H,11-12H2,1H3,(H,22,28)(H2,23,24,25,26,27)
InChIKeyHMWPGLHYVLUDSE-UHFFFAOYSA-N
XLogP2.87
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[[4-[(2-phenylcyclopropyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-methyl-2-[3-[[4-[(2-phenylcyclopropyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 23536741) is N-methyl-2-[3-[[4-[(2-phenylcyclopropyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-methyl-2-[3-[[4-[(2-phenylcyclopropyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-methyl-2-[3-[[4-[(2-phenylcyclopropyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CNC(=O)Cc1cccc(Nc2ncnc(NC3CC3c3ccccc3)n2)c1.
What is the InChIKey of N-methyl-2-[3-[[4-[(2-phenylcyclopropyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is HMWPGLHYVLUDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-22-19(28)11-14-6-5-9-16(10-14)25-20-23-13-24-21(27-20)26-18-12-17(18)15-7-3-2-4-8-15/h2-10,13,17-18H,11-12H2,1H3,(H,22,28)(H2,23,24,25,26,27).
What are the key properties of N-methyl-2-[3-[[4-[(2-phenylcyclopropyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-methyl-2-[3-[[4-[(2-phenylcyclopropyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 374.45 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[[4-[(2-phenylcyclopropyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 23536741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).