1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene

C95H140N6 — CID 159823913

IUPAC1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(C)ncn1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc2cc(C)ccc2c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.Cc1ccccc1C.Cc1nc(C)nc(C)n1
InChIInChI=1S/3C12H12.3C8H10.C7H9N.C6H9N3.C6H8N2.8C2H6/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-3-4-7(2)8-5-6;1-4-7-5(2)9-6(3)8-4;1-5-3-6(2)8-4-7-5;8*1-2/h3*3-8H,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3;1-3H3;3-4H,1-2H3;8*1-2H3
InChIKeyNMOXNCDIWBURRP-UHFFFAOYSA-N
MW1366.21 g/mol
LogP29.08
Rot. Bonds

About 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene

1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene (PubChem CID 159823913) has the molecular formula C95H140N6 and a molecular weight of 1366.21 g/mol. Its IUPAC name is 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Name1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene
PubChem CID159823913
Molecular FormulaC95H140N6
Molecular Weight1366.21 g/mol
Exact Mass1365.11
IUPAC Name1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(C)ncn1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc2cc(C)ccc2c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.Cc1ccccc1C.Cc1nc(C)nc(C)n1
InChIInChI=1S/3C12H12.3C8H10.C7H9N.C6H9N3.C6H8N2.8C2H6/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-3-4-7(2)8-5-6;1-4-7-5(2)9-6(3)8-4;1-5-3-6(2)8-4-7-5;8*1-2/h3*3-8H,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3;1-3H3;3-4H,1-2H3;8*1-2H3
InChIKeyNMOXNCDIWBURRP-UHFFFAOYSA-N
XLogP29.08
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001366.21
LogP ≤ 529.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene?
The IUPAC name of 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene (CID 159823913) is 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene.
What is the SMILES notation for 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene?
The canonical SMILES for 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene is CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(C)ncn1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc2cc(C)ccc2c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.Cc1ccccc1C.Cc1nc(C)nc(C)n1.
What is the InChIKey of 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene?
The InChIKey is NMOXNCDIWBURRP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H12.3C8H10.C7H9N.C6H9N3.C6H8N2.8C2H6/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-3-4-7(2)8-5-6;1-4-7-5(2)9-6(3)8-4;1-5-3-6(2)8-4-7-5;8*1-2/h3*3-8H,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3;1-3H3;3-4H,1-2H3;8*1-2H3.
What are the key properties of 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene?
1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene has a molecular weight of 1366.21 g/mol, XLogP of 29.08, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 159823913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).