2-N-(4-ethoxyphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine

C13H19N5O — CID 805323

IUPAC2-N-(4-ethoxyphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine
SMILESCCOc1ccc(NC2=NC(C)(C)N=C(N)N2)cc1
InChIInChI=1S/C13H19N5O/c1-4-19-10-7-5-9(6-8-10)15-12-16-11(14)17-13(2,3)18-12/h5-8H,4H2,1-3H3,(H4,14,15,16,17,18)
InChIKeyXABUHKCLFIROTA-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.51
Rot. Bonds3

About 2-N-(4-ethoxyphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine

2-N-(4-ethoxyphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine (PubChem CID 805323) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-N-(4-ethoxyphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-ethoxyphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine
PubChem CID805323
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-N-(4-ethoxyphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine
SMILESCCOc1ccc(NC2=NC(C)(C)N=C(N)N2)cc1
InChIInChI=1S/C13H19N5O/c1-4-19-10-7-5-9(6-8-10)15-12-16-11(14)17-13(2,3)18-12/h5-8H,4H2,1-3H3,(H4,14,15,16,17,18)
InChIKeyXABUHKCLFIROTA-UHFFFAOYSA-N
XLogP1.51
TPSA84.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

9-N-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine
CID 2174924
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine
CID 106750281
4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985
2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020765
4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147676
4-N-(4-ethoxyphenyl)pyridine-3,4-diamine
CID 29066417
6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149233
4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148675
5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 114404993
N-(4-ethoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 62522939
6-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 29066419

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethoxyphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine?
The IUPAC name of 2-N-(4-ethoxyphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine (CID 805323) is 2-N-(4-ethoxyphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 2-N-(4-ethoxyphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 2-N-(4-ethoxyphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine is CCOc1ccc(NC2=NC(C)(C)N=C(N)N2)cc1.
What is the InChIKey of 2-N-(4-ethoxyphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine?
The InChIKey is XABUHKCLFIROTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-19-10-7-5-9(6-8-10)15-12-16-11(14)17-13(2,3)18-12/h5-8H,4H2,1-3H3,(H4,14,15,16,17,18).
What are the key properties of 2-N-(4-ethoxyphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine?
2-N-(4-ethoxyphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine has a molecular weight of 261.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethoxyphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 805323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).