4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazin-2-amine

C21H22N4O2 — CID 16749326

IUPAC4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1ccc(-c2ncnc(Nc3ccc4c(c3)OCCO4)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-21(2,3)15-6-4-14(5-7-15)19-22-13-23-20(25-19)24-16-8-9-17-18(12-16)27-11-10-26-17/h4-9,12-13H,10-11H2,1-3H3,(H,22,23,24,25)
InChIKeyBRWGMRBEFSENTP-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.35
Rot. Bonds3

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

4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazin-2-amine (PubChem CID 16749326) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazin-2-amine
PubChem CID16749326
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1ccc(-c2ncnc(Nc3ccc4c(c3)OCCO4)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-21(2,3)15-6-4-14(5-7-15)19-22-13-23-20(25-19)24-16-8-9-17-18(12-16)27-11-10-26-17/h4-9,12-13H,10-11H2,1-3H3,(H,22,23,24,25)
InChIKeyBRWGMRBEFSENTP-UHFFFAOYSA-N
XLogP4.35
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine
CID 10406294
Pyrimidine derivative, 73
CID 10429408
4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
CID 16749540
4-(4-Tert-butylphenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidine
CID 16749545
5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-3-amine
CID 16749217
6-[(3-Methoxy-4-propoxy-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 474750
6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyrimidin-4-amine
CID 16749434
6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-amine
CID 16749543
6-[(4-benzylpiperazin-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine
CID 666309
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 16028071
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methylbenzyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 16028339
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 16028344

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazin-2-amine (CID 16749326) is 4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazin-2-amine is CC(C)(C)c1ccc(-c2ncnc(Nc3ccc4c(c3)OCCO4)n2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazin-2-amine?
The InChIKey is BRWGMRBEFSENTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-21(2,3)15-6-4-14(5-7-15)19-22-13-23-20(25-19)24-16-8-9-17-18(12-16)27-11-10-26-17/h4-9,12-13H,10-11H2,1-3H3,(H,22,23,24,25).
What are the key properties of 4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazin-2-amine?
4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazin-2-amine has a molecular weight of 362.43 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 16749326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).