2-[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1-phenylethanone

C22H23N5O2 — CID 4567260

IUPAC2-[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1-phenylethanone
SMILESO=C(Cc1nc(NCc2ccccc2)nc(N2CCOCC2)n1)c1ccccc1
InChIInChI=1S/C22H23N5O2/c28-19(18-9-5-2-6-10-18)15-20-24-21(23-16-17-7-3-1-4-8-17)26-22(25-20)27-11-13-29-14-12-27/h1-10H,11-16H2,(H,23,24,25,26)
InChIKeyJMGDQYQZGRHWDA-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.75
Rot. Bonds7

About 2-[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1-phenylethanone

2-[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1-phenylethanone (PubChem CID 4567260) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1-phenylethanone
PubChem CID4567260
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1-phenylethanone
SMILESO=C(Cc1nc(NCc2ccccc2)nc(N2CCOCC2)n1)c1ccccc1
InChIInChI=1S/C22H23N5O2/c28-19(18-9-5-2-6-10-18)15-20-24-21(23-16-17-7-3-1-4-8-17)26-22(25-20)27-11-13-29-14-12-27/h1-10H,11-16H2,(H,23,24,25,26)
InChIKeyJMGDQYQZGRHWDA-UHFFFAOYSA-N
XLogP2.75
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935485
N-benzyl-2-morpholin-4-ylpyrimidin-4-amine
CID 46891015
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 645138
4-N-benzyl-6-morpholin-4-yl-2-N-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 91962061
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid
CID 4767395
2-[(E)-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-diiodophenol
CID 135509019
2-anilino-N'-[4-[2-(2-anilinoacetyl)hydrazinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]acetohydrazide
CID 20994518
1-benzyl-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]thiourea
CID 16823466
4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzoic acid
CID 122048301
4-N-benzyl-2-N-[(E)-(4-iodophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 56697446
2-[(Z)-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-6-nitrophenol
CID 135906066

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1-phenylethanone?
The IUPAC name of 2-[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1-phenylethanone (CID 4567260) is 2-[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1-phenylethanone.
What is the SMILES notation for 2-[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1-phenylethanone?
The canonical SMILES for 2-[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1-phenylethanone is O=C(Cc1nc(NCc2ccccc2)nc(N2CCOCC2)n1)c1ccccc1.
What is the InChIKey of 2-[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1-phenylethanone?
The InChIKey is JMGDQYQZGRHWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-19(18-9-5-2-6-10-18)15-20-24-21(23-16-17-7-3-1-4-8-17)26-22(25-20)27-11-13-29-14-12-27/h1-10H,11-16H2,(H,23,24,25,26).
What are the key properties of 2-[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1-phenylethanone?
2-[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1-phenylethanone has a molecular weight of 389.46 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1-phenylethanone is sourced from PubChem (CID 4567260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).