N-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]aniline

C17H19N7O — CID 67036409

IUPACN-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]aniline
SMILESc1ccc(NCc2nc(N3CCOCC3)nc(-n3ccnc3)n2)cc1
InChIInChI=1S/C17H19N7O/c1-2-4-14(5-3-1)19-12-15-20-16(23-8-10-25-11-9-23)22-17(21-15)24-7-6-18-13-24/h1-7,13,19H,8-12H2
InChIKeyBVCNUKRDKFHMLP-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.51
Rot. Bonds5

About N-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]aniline

N-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]aniline (PubChem CID 67036409) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]aniline
PubChem CID67036409
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC NameN-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]aniline
SMILESc1ccc(NCc2nc(N3CCOCC3)nc(-n3ccnc3)n2)cc1
InChIInChI=1S/C17H19N7O/c1-2-4-14(5-3-1)19-12-15-20-16(23-8-10-25-11-9-23)22-17(21-15)24-7-6-18-13-24/h1-7,13,19H,8-12H2
InChIKeyBVCNUKRDKFHMLP-UHFFFAOYSA-N
XLogP1.51
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]aniline with MolForge

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Related Compounds

4-[4-(6-imidazol-1-ylpyridazin-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58508215
4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline
CID 63180269
4-imidazol-1-yl-N,N-diphenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 1266457
4-(4-benzyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)morpholine
CID 161423330
N-benzyl-2-morpholin-4-ylpyrimidin-4-amine
CID 46891015
2-chloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122255045
4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine
CID 46854232
N-benzyl-6-morpholin-4-ylpyridin-3-amine
CID 43724757
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-4-phenylbenzamide
CID 122254981
2-[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1-phenylethanone
CID 4567260
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]pyridine-2-carboxamide
CID 122255004
2-anilino-N'-[4-[2-(2-anilinoacetyl)hydrazinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]acetohydrazide
CID 20994518

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]aniline?
The IUPAC name of N-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]aniline (CID 67036409) is N-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]aniline.
What is the SMILES notation for N-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]aniline?
The canonical SMILES for N-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]aniline is c1ccc(NCc2nc(N3CCOCC3)nc(-n3ccnc3)n2)cc1.
What is the InChIKey of N-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]aniline?
The InChIKey is BVCNUKRDKFHMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-2-4-14(5-3-1)19-12-15-20-16(23-8-10-25-11-9-23)22-17(21-15)24-7-6-18-13-24/h1-7,13,19H,8-12H2.
What are the key properties of N-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]aniline?
N-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]aniline has a molecular weight of 337.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]aniline is sourced from PubChem (CID 67036409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).