4-N-benzyl-2-N-(furan-2-ylmethyl)-6-methoxy-1,3,5-triazine-2,4-diamine

C16H17N5O2 — CID 768148

IUPAC4-N-benzyl-2-N-(furan-2-ylmethyl)-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(NCc2ccccc2)nc(NCc2ccco2)n1
InChIInChI=1S/C16H17N5O2/c1-22-16-20-14(17-10-12-6-3-2-4-7-12)19-15(21-16)18-11-13-8-5-9-23-13/h2-9H,10-11H2,1H3,(H2,17,18,19,20,21)
InChIKeyNXIOBJYOCVUSOJ-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.70
Rot. Bonds7

About 4-N-benzyl-2-N-(furan-2-ylmethyl)-6-methoxy-1,3,5-triazine-2,4-diamine

4-N-benzyl-2-N-(furan-2-ylmethyl)-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 768148) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(furan-2-ylmethyl)-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(furan-2-ylmethyl)-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID768148
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name4-N-benzyl-2-N-(furan-2-ylmethyl)-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(NCc2ccccc2)nc(NCc2ccco2)n1
InChIInChI=1S/C16H17N5O2/c1-22-16-20-14(17-10-12-6-3-2-4-7-12)19-15(21-16)18-11-13-8-5-9-23-13/h2-9H,10-11H2,1H3,(H2,17,18,19,20,21)
InChIKeyNXIOBJYOCVUSOJ-UHFFFAOYSA-N
XLogP2.70
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80932085
4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889273
4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 154620273
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
N-(furan-2-ylmethyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80932923
2-N-[(E)-benzylideneamino]-6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 5334418
4-ethoxy-N-(furan-2-ylmethyl)-6-methyl-1,3,5-triazin-2-amine
CID 143835245
4-N-(furan-2-ylmethyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142538
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 694087
N-[[3-(chloromethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 65028280
6-chloro-4-N-ethyl-2-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1146272
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112915130

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(furan-2-ylmethyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(furan-2-ylmethyl)-6-methoxy-1,3,5-triazine-2,4-diamine (CID 768148) is 4-N-benzyl-2-N-(furan-2-ylmethyl)-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(furan-2-ylmethyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(furan-2-ylmethyl)-6-methoxy-1,3,5-triazine-2,4-diamine is COc1nc(NCc2ccccc2)nc(NCc2ccco2)n1.
What is the InChIKey of 4-N-benzyl-2-N-(furan-2-ylmethyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is NXIOBJYOCVUSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-22-16-20-14(17-10-12-6-3-2-4-7-12)19-15(21-16)18-11-13-8-5-9-23-13/h2-9H,10-11H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 4-N-benzyl-2-N-(furan-2-ylmethyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
4-N-benzyl-2-N-(furan-2-ylmethyl)-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 311.35 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(furan-2-ylmethyl)-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 768148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).