2-N,4-N-bis[(1R)-1-naphthalen-1-ylethyl]-2-N-[(1S)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4,6-triamine

C39H36N6 — CID 100936160

IUPAC2-N,4-N-bis[(1R)-1-naphthalen-1-ylethyl]-2-N-[(1S)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4,6-triamine
SMILESC[C@H](c1cccc2ccccc12)N(c1nc(N)nc(N[C@H](C)c2cccc3ccccc23)n1)[C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C39H36N6/c1-25(31-22-10-16-28-13-4-7-19-34(28)31)41-38-42-37(40)43-39(44-38)45(26(2)32-23-11-17-29-14-5-8-20-35(29)32)27(3)33-24-12-18-30-15-6-9-21-36(30)33/h4-27H,1-3H3,(H3,40,41,42,43,44)/t25-,26-,27+/m1/s1
InChIKeyOGTMRXMNSWWTDK-PFBJBMPXSA-N
MW588.76 g/mol
LogP9.42
Rot. Bonds8

About 2-N,4-N-bis[(1R)-1-naphthalen-1-ylethyl]-2-N-[(1S)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4,6-triamine

2-N,4-N-bis[(1R)-1-naphthalen-1-ylethyl]-2-N-[(1S)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 100936160) has the molecular formula C39H36N6 and a molecular weight of 588.76 g/mol. Its IUPAC name is 2-N,4-N-bis[(1R)-1-naphthalen-1-ylethyl]-2-N-[(1S)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis[(1R)-1-naphthalen-1-ylethyl]-2-N-[(1S)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID100936160
Molecular FormulaC39H36N6
Molecular Weight588.76 g/mol
Exact Mass588.30
IUPAC Name2-N,4-N-bis[(1R)-1-naphthalen-1-ylethyl]-2-N-[(1S)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4,6-triamine
SMILESC[C@H](c1cccc2ccccc12)N(c1nc(N)nc(N[C@H](C)c2cccc3ccccc23)n1)[C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C39H36N6/c1-25(31-22-10-16-28-13-4-7-19-34(28)31)41-38-42-37(40)43-39(44-38)45(26(2)32-23-11-17-29-14-5-8-20-35(29)32)27(3)33-24-12-18-30-15-6-9-21-36(30)33/h4-27H,1-3H3,(H3,40,41,42,43,44)/t25-,26-,27+/m1/s1
InChIKeyOGTMRXMNSWWTDK-PFBJBMPXSA-N
XLogP9.42
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.76
LogP ≤ 59.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N-bis[(1R)-1-naphthalen-1-ylethyl]-2-N-[(1S)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine
CID 26006023
(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(1-naphthalen-1-ylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride
CID 162334300
2-N-[(1R)-1-anthracen-9-ylethyl]-6-chloro-4-N-[(1R)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4-diamine
CID 10577433
N-ethyl-3-naphthalen-1-ylbutan-1-amine
CID 81020058
2-methyl-N-(1-naphthalen-1-ylethyl)aniline
CID 43103327
N-methyl-N-(1-naphthalen-1-ylethyl)propan-2-amine
CID 22982648
1-[[4-amino-6-[bis(1-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 22996585
2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohepta-2,4,6-trien-1-one
CID 15066371
4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80802339
1-methyl-1-[(1R)-1-naphthalen-1-ylethyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 101424575
3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline
CID 107582351
N-(1-naphthalen-1-ylethyl)-1H-pyrazol-4-amine
CID 43540043

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[(1R)-1-naphthalen-1-ylethyl]-2-N-[(1S)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis[(1R)-1-naphthalen-1-ylethyl]-2-N-[(1S)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4,6-triamine (CID 100936160) is 2-N,4-N-bis[(1R)-1-naphthalen-1-ylethyl]-2-N-[(1S)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis[(1R)-1-naphthalen-1-ylethyl]-2-N-[(1S)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis[(1R)-1-naphthalen-1-ylethyl]-2-N-[(1S)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4,6-triamine is C[C@H](c1cccc2ccccc12)N(c1nc(N)nc(N[C@H](C)c2cccc3ccccc23)n1)[C@@H](C)c1cccc2ccccc12.
What is the InChIKey of 2-N,4-N-bis[(1R)-1-naphthalen-1-ylethyl]-2-N-[(1S)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is OGTMRXMNSWWTDK-PFBJBMPXSA-N. The full InChI is InChI=1S/C39H36N6/c1-25(31-22-10-16-28-13-4-7-19-34(28)31)41-38-42-37(40)43-39(44-38)45(26(2)32-23-11-17-29-14-5-8-20-35(29)32)27(3)33-24-12-18-30-15-6-9-21-36(30)33/h4-27H,1-3H3,(H3,40,41,42,43,44)/t25-,26-,27+/m1/s1.
What are the key properties of 2-N,4-N-bis[(1R)-1-naphthalen-1-ylethyl]-2-N-[(1S)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis[(1R)-1-naphthalen-1-ylethyl]-2-N-[(1S)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 588.76 g/mol, XLogP of 9.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[(1R)-1-naphthalen-1-ylethyl]-2-N-[(1S)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 100936160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).