6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine;1,2-xylene

C19H31N5 — CID 175268076

IUPAC6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine;1,2-xylene
SMILESCC(C)(C)CC(C)(C)c1nc(N)nc(N)n1.Cc1ccccc1C
InChIInChI=1S/C11H21N5.C8H10/c1-10(2,3)6-11(4,5)7-14-8(12)16-9(13)15-7;1-7-5-3-4-6-8(7)2/h6H2,1-5H3,(H4,12,13,14,15,16);3-6H,1-2H3
InChIKeyREMLUHAIMLYGAY-UHFFFAOYSA-N
MW329.49 g/mol
LogP4.05
Rot. Bonds2

About 6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine;1,2-xylene

6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine;1,2-xylene (PubChem CID 175268076) has the molecular formula C19H31N5 and a molecular weight of 329.49 g/mol. Its IUPAC name is 6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine;1,2-xylene.

Molecular Properties

Compound Name6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine;1,2-xylene
PubChem CID175268076
Molecular FormulaC19H31N5
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC Name6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine;1,2-xylene
SMILESCC(C)(C)CC(C)(C)c1nc(N)nc(N)n1.Cc1ccccc1C
InChIInChI=1S/C11H21N5.C8H10/c1-10(2,3)6-11(4,5)7-14-8(12)16-9(13)15-7;1-7-5-3-4-6-8(7)2/h6H2,1-5H3,(H4,12,13,14,15,16);3-6H,1-2H3
InChIKeyREMLUHAIMLYGAY-UHFFFAOYSA-N
XLogP4.05
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazine-2,4-diamine, 6-(4-tert-butylphenyl)-
CID 615135
6-(2,4-dimethylphenyl)-1,3,5-Triazine-2,4-diamine
CID 25163924
4-[(2-Methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 137659244
6-(Diphenylmethyl)-1,3,5-triazine-2,4-diamine
CID 306442
6-Benzyl-1,3,5-triazine-2,4-diamine
CID 15819
s-Triazine, 2-amino-4-butyl-6-(phenethylamino)-
CID 213572
6-(3,5-Ditert-butylphenyl)-1,3,5-triazine-2,4-diamine
CID 1240590
2'-Methylbenzoguanamine
CID 2730671
2'-Ethylbenzoguanamine
CID 23274232
1,3,5-Triazin-2-amine, 4-methoxy-6-(phenylmethyl)-
CID 199927
N2-(1-ethyl-3-phenylpropyl)-6-(1-fluoro-1-methylethyl)-1,3,5-triazine-2,4-diamine
CID 11023543
6-(4-Phenylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 506587

Frequently Asked Questions

What is the IUPAC name of 6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine;1,2-xylene?
The IUPAC name of 6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine;1,2-xylene (CID 175268076) is 6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine;1,2-xylene.
What is the SMILES notation for 6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine;1,2-xylene?
The canonical SMILES for 6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine;1,2-xylene is CC(C)(C)CC(C)(C)c1nc(N)nc(N)n1.Cc1ccccc1C.
What is the InChIKey of 6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine;1,2-xylene?
The InChIKey is REMLUHAIMLYGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5.C8H10/c1-10(2,3)6-11(4,5)7-14-8(12)16-9(13)15-7;1-7-5-3-4-6-8(7)2/h6H2,1-5H3,(H4,12,13,14,15,16);3-6H,1-2H3.
What are the key properties of 6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine;1,2-xylene?
6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine;1,2-xylene has a molecular weight of 329.49 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine;1,2-xylene is sourced from PubChem (CID 175268076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).