N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C21H30N6O2 — CID 7192036

IUPACN-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCCCc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H30N6O2/c1-2-3-4-17-5-7-18(8-6-17)22-19-23-20(26-9-13-28-14-10-26)25-21(24-19)27-11-15-29-16-12-27/h5-8H,2-4,9-16H2,1H3,(H,22,23,24,25)
InChIKeyKTRASJFXVHVJCE-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.63
Rot. Bonds7

About N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 7192036) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID7192036
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC NameN-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCCCc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H30N6O2/c1-2-3-4-17-5-7-18(8-6-17)22-19-23-20(26-9-13-28-14-10-26)25-21(24-19)27-11-15-29-16-12-27/h5-8H,2-4,9-16H2,1H3,(H,22,23,24,25)
InChIKeyKTRASJFXVHVJCE-UHFFFAOYSA-N
XLogP2.63
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)aniline
CID 45379087
2-Anilino-4,6-DI(4-morpholinyl)-1,3,5-triazine
CID 749680
1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-n2,n4-diphenyl-
CID 780750
4-({4-[3-(Morpholin-4-Yl)propoxy]-6-[(2,4,6-Trimethylphenyl)amino]-1,3,5-Triazin-2-Yl}amino)benzonitrile
CID 72163596
4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile
CID 72163598
4-[[4-(2,6-Difluoro-4-methyl-anilino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 72163599
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 1117926
2-[[4-(4-Methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648018
N-(2-Morpholin-4-yl-ethyl)-N',N''-diphenyl-[1,3,5]triazine-2,4,6-triamine
CID 1095342
Ethyl 2-{[4-chloro-6-(4-toluidino)-1,3,5-triazin-2-yl]amino}acetate
CID 4237348
N,N'-bis(4-fluorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 1333301
N2,N4-bis(p-tolyl)-N6-(tetrahydrofuran-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 2861253

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 7192036) is N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is CCCCc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is KTRASJFXVHVJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-2-3-4-17-5-7-18(8-6-17)22-19-23-20(26-9-13-28-14-10-26)25-21(24-19)27-11-15-29-16-12-27/h5-8H,2-4,9-16H2,1H3,(H,22,23,24,25).
What are the key properties of N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 398.51 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 7192036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).