4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine

C12H15N5O — CID 80768361

IUPAC4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Nc2ccccc2)nc(OC)n1
InChIInChI=1S/C12H15N5O/c1-3-13-10-15-11(17-12(16-10)18-2)14-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyLRBOCQDOGCEEGK-UHFFFAOYSA-N
MW245.29 g/mol
LogP2.06
Rot. Bonds5

About 4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 80768361) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID80768361
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Nc2ccccc2)nc(OC)n1
InChIInChI=1S/C12H15N5O/c1-3-13-10-15-11(17-12(16-10)18-2)14-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyLRBOCQDOGCEEGK-UHFFFAOYSA-N
XLogP2.06
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

2-N-(3-ethoxyphenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80785951
6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 80768818
4-N-ethyl-6-methoxy-2-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine
CID 104592515
4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80773421
6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 117092308
2-N-(1-benzothiophen-5-yl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80828180
6-ethoxy-4-N-ethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762181
4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine
CID 7589444
6-ethoxy-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80768642
2-N-(2,4-dichlorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760181
N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 2796483

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 80768361) is 4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Nc2ccccc2)nc(OC)n1.
What is the InChIKey of 4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is LRBOCQDOGCEEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-3-13-10-15-11(17-12(16-10)18-2)14-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 245.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80768361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).