3-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile

C11H18N6O — CID 80806832

IUPAC3-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1nc(NC)nc(OC)n1
InChIInChI=1S/C11H18N6O/c1-5-17(7-8(2)6-12)10-14-9(13-3)15-11(16-10)18-4/h8H,5,7H2,1-4H3,(H,13,14,15,16)
InChIKeyTVCLKSRKSDQWLX-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.91
Rot. Bonds6

About 3-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile

3-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile (PubChem CID 80806832) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile
PubChem CID80806832
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name3-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1nc(NC)nc(OC)n1
InChIInChI=1S/C11H18N6O/c1-5-17(7-8(2)6-12)10-14-9(13-3)15-11(16-10)18-4/h8H,5,7H2,1-4H3,(H,13,14,15,16)
InChIKeyTVCLKSRKSDQWLX-UHFFFAOYSA-N
XLogP0.91
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80809168
2-N,2-N-diethyl-4-N-methyl-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine
CID 80862256
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropanenitrile
CID 62864991
2-N,4-N,4-N-triethyl-6-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80836449
6-methoxy-2-N,4-N-dimethyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80796703
2-N-(cyclopropylmethyl)-2-N-ethyl-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80840106
2-[cyanomethyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetonitrile
CID 80753645
6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80871928
6-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80820749
2-N,2-N-diethyl-4-N-(2-methoxyethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80766275
3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80867459
2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80808988

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile (CID 80806832) is 3-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile is CCN(CC(C)C#N)c1nc(NC)nc(OC)n1.
What is the InChIKey of 3-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile?
The InChIKey is TVCLKSRKSDQWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-5-17(7-8(2)6-12)10-14-9(13-3)15-11(16-10)18-4/h8H,5,7H2,1-4H3,(H,13,14,15,16).
What are the key properties of 3-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile?
3-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile has a molecular weight of 250.31 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile is sourced from PubChem (CID 80806832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).