2-N-(4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-ethyl-1,3,5-triazine-2,4-diamine

C17H23N5 — CID 67072807

IUPAC2-N-(4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(N)nc(NC2CCC(C)c3cc(C)ccc32)n1
InChIInChI=1S/C17H23N5/c1-4-15-20-16(18)22-17(21-15)19-14-8-6-11(3)13-9-10(2)5-7-12(13)14/h5,7,9,11,14H,4,6,8H2,1-3H3,(H3,18,19,20,21,22)
InChIKeyGMVFTAWWBLSYLE-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.38
Rot. Bonds3

About 2-N-(4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-ethyl-1,3,5-triazine-2,4-diamine

2-N-(4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 67072807) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-N-(4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID67072807
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name2-N-(4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(N)nc(NC2CCC(C)c3cc(C)ccc32)n1
InChIInChI=1S/C17H23N5/c1-4-15-20-16(18)22-17(21-15)19-14-8-6-11(3)13-9-10(2)5-7-12(13)14/h5,7,9,11,14H,4,6,8H2,1-3H3,(H3,18,19,20,21,22)
InChIKeyGMVFTAWWBLSYLE-UHFFFAOYSA-N
XLogP3.38
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-ethyl-1,3,5-triazine-2,4-diamine (CID 67072807) is 2-N-(4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-ethyl-1,3,5-triazine-2,4-diamine is CCc1nc(N)nc(NC2CCC(C)c3cc(C)ccc32)n1.
What is the InChIKey of 2-N-(4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GMVFTAWWBLSYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-4-15-20-16(18)22-17(21-15)19-14-8-6-11(3)13-9-10(2)5-7-12(13)14/h5,7,9,11,14H,4,6,8H2,1-3H3,(H3,18,19,20,21,22).
What are the key properties of 2-N-(4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-ethyl-1,3,5-triazine-2,4-diamine?
2-N-(4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 297.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67072807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).