2-N,2-N,4-N,4-N-tetraethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine

C22H35N7O — CID 4296013

IUPAC2-N,2-N,4-N,4-N-tetraethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N(CC)CC)nc(N2CCN(c3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C22H35N7O/c1-6-26(7-2)20-23-21(27(8-3)9-4)25-22(24-20)29-16-14-28(15-17-29)18-10-12-19(30-5)13-11-18/h10-13H,6-9,14-17H2,1-5H3
InChIKeyXGLYNYUVGQBPBI-UHFFFAOYSA-N
MW413.57 g/mol
LogP2.90
Rot. Bonds9

About 2-N,2-N,4-N,4-N-tetraethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N,4-N-tetraethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 4296013) has the molecular formula C22H35N7O and a molecular weight of 413.57 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N-tetraethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N-tetraethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine
PubChem CID4296013
Molecular FormulaC22H35N7O
Molecular Weight413.57 g/mol
Exact Mass413.29
IUPAC Name2-N,2-N,4-N,4-N-tetraethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N(CC)CC)nc(N2CCN(c3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C22H35N7O/c1-6-26(7-2)20-23-21(27(8-3)9-4)25-22(24-20)29-16-14-28(15-17-29)18-10-12-19(30-5)13-11-18/h10-13H,6-9,14-17H2,1-5H3
InChIKeyXGLYNYUVGQBPBI-UHFFFAOYSA-N
XLogP2.90
TPSA60.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
1-(4-methoxyphenyl)-4-sulfanylpiperazine;propane
CID 142914389
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
[4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159073
N-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine
CID 112925591
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
CID 139509898
N,N-diethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 2197299
1-(4-methoxyphenyl)piperidine
CID 10130315
1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride
CID 20519338
2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 9161464
2-[[4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]ethanol
CID 2180929
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N-tetraethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N,4-N-tetraethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine (CID 4296013) is 2-N,2-N,4-N,4-N-tetraethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N-tetraethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N,4-N-tetraethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N(CC)CC)nc(N2CCN(c3ccc(OC)cc3)CC2)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N-tetraethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is XGLYNYUVGQBPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N7O/c1-6-26(7-2)20-23-21(27(8-3)9-4)25-22(24-20)29-16-14-28(15-17-29)18-10-12-19(30-5)13-11-18/h10-13H,6-9,14-17H2,1-5H3.
What are the key properties of 2-N,2-N,4-N,4-N-tetraethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N,4-N-tetraethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 413.57 g/mol, XLogP of 2.90, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N-tetraethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 4296013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).