N-(2-methoxydibenzofuran-3-yl)-4-(1,3-oxazepan-3-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

C26H30N6O3 — CID 163649514

IUPACN-(2-methoxydibenzofuran-3-yl)-4-(1,3-oxazepan-3-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1cc2c(cc1Nc1nc(N3CCCCC3)nc(N3CCCCOC3)n1)oc1ccccc12
InChIInChI=1S/C26H30N6O3/c1-33-23-15-19-18-9-3-4-10-21(18)35-22(19)16-20(23)27-24-28-25(31-11-5-2-6-12-31)30-26(29-24)32-13-7-8-14-34-17-32/h3-4,9-10,15-16H,2,5-8,11-14,17H2,1H3,(H,27,28,29,30)
InChIKeyILAZQFQOFIPZCE-UHFFFAOYSA-N
MW474.57 g/mol
LogP5.09
Rot. Bonds5

About N-(2-methoxydibenzofuran-3-yl)-4-(1,3-oxazepan-3-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

N-(2-methoxydibenzofuran-3-yl)-4-(1,3-oxazepan-3-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 163649514) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-4-(1,3-oxazepan-3-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-4-(1,3-oxazepan-3-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID163649514
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-4-(1,3-oxazepan-3-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1cc2c(cc1Nc1nc(N3CCCCC3)nc(N3CCCCOC3)n1)oc1ccccc12
InChIInChI=1S/C26H30N6O3/c1-33-23-15-19-18-9-3-4-10-21(18)35-22(19)16-20(23)27-24-28-25(31-11-5-2-6-12-31)30-26(29-24)32-13-7-8-14-34-17-32/h3-4,9-10,15-16H,2,5-8,11-14,17H2,1H3,(H,27,28,29,30)
InChIKeyILAZQFQOFIPZCE-UHFFFAOYSA-N
XLogP5.09
TPSA88.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.57
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-methoxy-4-morpholin-4-ylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865823
N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride
CID 18584608
N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 1068515
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
N-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773677
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 16580953
N-(2-methoxy-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 7589328
4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 39847912
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxydibenzofuran-3-amine
CID 134019628
(3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide
CID 2111778
2-hydroxy-N-(2-methoxydibenzofuran-3-yl)cyclopentane-1-carboxamide
CID 110013791
4-N-(3,4-dimethylphenyl)-2-N-(2-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580291

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-4-(1,3-oxazepan-3-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-4-(1,3-oxazepan-3-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 163649514) is N-(2-methoxydibenzofuran-3-yl)-4-(1,3-oxazepan-3-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-4-(1,3-oxazepan-3-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-4-(1,3-oxazepan-3-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is COc1cc2c(cc1Nc1nc(N3CCCCC3)nc(N3CCCCOC3)n1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-4-(1,3-oxazepan-3-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ILAZQFQOFIPZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-33-23-15-19-18-9-3-4-10-21(18)35-22(19)16-20(23)27-24-28-25(31-11-5-2-6-12-31)30-26(29-24)32-13-7-8-14-34-17-32/h3-4,9-10,15-16H,2,5-8,11-14,17H2,1H3,(H,27,28,29,30).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-4-(1,3-oxazepan-3-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
N-(2-methoxydibenzofuran-3-yl)-4-(1,3-oxazepan-3-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 474.57 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-4-(1,3-oxazepan-3-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 163649514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).