4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine;hydrochloride

C20H29ClN6O2 — CID 18580222

IUPAC4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine;hydrochloride
SMILESCC(C)c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.Cl
InChIInChI=1S/C20H28N6O2.ClH/c1-15(2)16-3-5-17(6-4-16)21-18-22-19(25-7-11-27-12-8-25)24-20(23-18)26-9-13-28-14-10-26;/h3-6,15H,7-14H2,1-2H3,(H,21,22,23,24);1H
InChIKeyINICCMFJIXUTDR-UHFFFAOYSA-N
MW420.95 g/mol
LogP2.83
Rot. Bonds5

About 4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine;hydrochloride

4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine;hydrochloride (PubChem CID 18580222) has the molecular formula C20H29ClN6O2 and a molecular weight of 420.95 g/mol. Its IUPAC name is 4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine;hydrochloride.

Molecular Properties

Compound Name4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine;hydrochloride
PubChem CID18580222
Molecular FormulaC20H29ClN6O2
Molecular Weight420.95 g/mol
Exact Mass420.20
IUPAC Name4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine;hydrochloride
SMILESCC(C)c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.Cl
InChIInChI=1S/C20H28N6O2.ClH/c1-15(2)16-3-5-17(6-4-16)21-18-22-19(25-7-11-27-12-8-25)24-20(23-18)26-9-13-28-14-10-26;/h3-6,15H,7-14H2,1-2H3,(H,21,22,23,24);1H
InChIKeyINICCMFJIXUTDR-UHFFFAOYSA-N
XLogP2.83
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.95
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-morpholin-4-yl-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol
CID 5112726
2-N-(4-chlorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477743
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 7192046
4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 39847912
2-N-(3-chloro-4-methylphenyl)-4-N-(4-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580181
2-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80751542
2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580364
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710
4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 23381719
4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine
CID 129216917
ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoate;hydrochloride
CID 18580234
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031

Frequently Asked Questions

What is the IUPAC name of 4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine;hydrochloride?
The IUPAC name of 4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine;hydrochloride (CID 18580222) is 4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine;hydrochloride.
What is the SMILES notation for 4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine;hydrochloride?
The canonical SMILES for 4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine;hydrochloride is CC(C)c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.Cl.
What is the InChIKey of 4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine;hydrochloride?
The InChIKey is INICCMFJIXUTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2.ClH/c1-15(2)16-3-5-17(6-4-16)21-18-22-19(25-7-11-27-12-8-25)24-20(23-18)26-9-13-28-14-10-26;/h3-6,15H,7-14H2,1-2H3,(H,21,22,23,24);1H.
What are the key properties of 4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine;hydrochloride?
4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine;hydrochloride has a molecular weight of 420.95 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine;hydrochloride is sourced from PubChem (CID 18580222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).