4-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine

C18H23N5O — CID 133431839

IUPAC4-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(NC(C)c2cc3ccccc3o2)nc(N(C)C)n1
InChIInChI=1S/C18H23N5O/c1-11(2)16-20-17(22-18(21-16)23(4)5)19-12(3)15-10-13-8-6-7-9-14(13)24-15/h6-12H,1-5H3,(H,19,20,21,22)
InChIKeyRTEOMXVHEHQGMJ-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.98
Rot. Bonds5

About 4-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine

4-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 133431839) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID133431839
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name4-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(NC(C)c2cc3ccccc3o2)nc(N(C)C)n1
InChIInChI=1S/C18H23N5O/c1-11(2)16-20-17(22-18(21-16)23(4)5)19-12(3)15-10-13-8-6-7-9-14(13)24-15/h6-12H,1-5H3,(H,19,20,21,22)
InChIKeyRTEOMXVHEHQGMJ-UHFFFAOYSA-N
XLogP3.98
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 43049478
2-N,2-N-dimethyl-4-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 133431796
1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 103781695
N-[1-(1-benzofuran-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 17487293
N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline
CID 43194276
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline
CID 43102235
N-[1-(1-benzofuran-2-yl)ethyl]-2-(difluoromethyl)quinazolin-4-amine
CID 56553921
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline
CID 43122562
N-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline
CID 43683127
1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43203173
[2-[1-(1-benzofuran-2-yl)ethylamino]phenyl]methanol
CID 43743209

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 133431839) is 4-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)c1nc(NC(C)c2cc3ccccc3o2)nc(N(C)C)n1.
What is the InChIKey of 4-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is RTEOMXVHEHQGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-11(2)16-20-17(22-18(21-16)23(4)5)19-12(3)15-10-13-8-6-7-9-14(13)24-15/h6-12H,1-5H3,(H,19,20,21,22).
What are the key properties of 4-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
4-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 325.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 133431839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).