3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-methoxybenzonitrile

C13H14N6O — CID 106951503

IUPAC3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)cc1-c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C13H14N6O/c1-19(2)13-17-11(16-12(15)18-13)9-6-8(7-14)4-5-10(9)20-3/h4-6H,1-3H3,(H2,15,16,17,18)
InChIKeyNEQDRSDMNPGOGU-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.07
Rot. Bonds3

About 3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-methoxybenzonitrile

3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-methoxybenzonitrile (PubChem CID 106951503) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-methoxybenzonitrile.

Molecular Properties

Compound Name3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-methoxybenzonitrile
PubChem CID106951503
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)cc1-c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C13H14N6O/c1-19(2)13-17-11(16-12(15)18-13)9-6-8(7-14)4-5-10(9)20-3/h4-6H,1-3H3,(H2,15,16,17,18)
InChIKeyNEQDRSDMNPGOGU-UHFFFAOYSA-N
XLogP1.07
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,6-dimethoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 116811235
3-(4-amino-1,2,5-thiadiazol-3-yl)-4-methoxybenzonitrile
CID 106951514
3-(6-amino-3,5-dichloro-2-pyridinyl)-4-methoxybenzonitrile
CID 106951535
3-(6-bromo-2-pyridinyl)-4-methoxybenzonitrile
CID 106951430
3-(5-amino-1,3,4-thiadiazol-2-yl)-4-methoxybenzonitrile
CID 106951468
3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-4-methoxybenzonitrile
CID 106951542
4-methoxy-3-[2-(methylamino)pyrimidin-4-yl]benzonitrile
CID 106951518
6-[(3,4-dimethoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 161274505
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile
CID 80852633
4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 82478513
(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile
CID 17392536
3-(6-chloro-5-methoxypyrimidin-4-yl)-4-methoxybenzonitrile
CID 106951422

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-methoxybenzonitrile?
The IUPAC name of 3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-methoxybenzonitrile (CID 106951503) is 3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-methoxybenzonitrile.
What is the SMILES notation for 3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-methoxybenzonitrile?
The canonical SMILES for 3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-methoxybenzonitrile is COc1ccc(C#N)cc1-c1nc(N)nc(N(C)C)n1.
What is the InChIKey of 3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-methoxybenzonitrile?
The InChIKey is NEQDRSDMNPGOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-19(2)13-17-11(16-12(15)18-13)9-6-8(7-14)4-5-10(9)20-3/h4-6H,1-3H3,(H2,15,16,17,18).
What are the key properties of 3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-methoxybenzonitrile?
3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-methoxybenzonitrile has a molecular weight of 270.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-methoxybenzonitrile is sourced from PubChem (CID 106951503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).