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

C13H17N5O2 — CID 116811235

IUPAC6-(2,6-dimethoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(OC)c1-c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C13H17N5O2/c1-18(2)13-16-11(15-12(14)17-13)10-8(19-3)6-5-7-9(10)20-4/h5-7H,1-4H3,(H2,14,15,16,17)
InChIKeyRVFRMXHMNFTSLV-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.20
Rot. Bonds4

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

6-(2,6-dimethoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 116811235) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID116811235
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name6-(2,6-dimethoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(OC)c1-c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C13H17N5O2/c1-18(2)13-16-11(15-12(14)17-13)10-8(19-3)6-5-7-9(10)20-4/h5-7H,1-4H3,(H2,14,15,16,17)
InChIKeyRVFRMXHMNFTSLV-UHFFFAOYSA-N
XLogP1.20
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-methoxybenzonitrile
CID 106951503
6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 47449133
6-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 793255
2-N-(3-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80815811
2-N-(4-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80816631
6-[1-[(2-methoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 17449981
6-[(1R)-1-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 94501968
6-[(3,4-dimethoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 161274505
6-chloro-2-N-(2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80816535
4-cyclopropyl-6-(2-methoxyphenyl)-1,3,5-triazin-2-amine
CID 63868741
6-(3-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80870325
2-N,2-N-dimethyl-6-(2-methyl-3-nitrophenoxy)-1,3,5-triazine-2,4-diamine
CID 80875917

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 116811235) is 6-(2,6-dimethoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is COc1cccc(OC)c1-c1nc(N)nc(N(C)C)n1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RVFRMXHMNFTSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-18(2)13-16-11(15-12(14)17-13)10-8(19-3)6-5-7-9(10)20-4/h5-7H,1-4H3,(H2,14,15,16,17).
What are the key properties of 6-(2,6-dimethoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(2,6-dimethoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 275.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 116811235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).