4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine

C12H21N5O — CID 80823839

IUPAC4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(N2CCC(C)(C)CC2)n1
InChIInChI=1S/C12H21N5O/c1-12(2)5-7-17(8-6-12)10-14-9(13-3)15-11(16-10)18-4/h5-8H2,1-4H3,(H,13,14,15,16)
InChIKeyPNVZCNBMSWBRGI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.55
Rot. Bonds3

About 4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine

4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80823839) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID80823839
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(N2CCC(C)(C)CC2)n1
InChIInChI=1S/C12H21N5O/c1-12(2)5-7-17(8-6-12)10-14-9(13-3)15-11(16-10)18-4/h5-8H2,1-4H3,(H,13,14,15,16)
InChIKeyPNVZCNBMSWBRGI-UHFFFAOYSA-N
XLogP1.55
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80854586
1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol
CID 107409062
4-methoxy-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80767737
4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80823660
4-methoxy-N-methyl-6-(1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
CID 80823279
4-methoxy-N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 80807282
[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80914000
[4-(4,4-dimethylpiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80919495
4-(4,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80807554
4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 107460274
4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80854590
[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-yl]methanamine
CID 107160419

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine (CID 80823839) is 4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine is CNc1nc(OC)nc(N2CCC(C)(C)CC2)n1.
What is the InChIKey of 4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is PNVZCNBMSWBRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-12(2)5-7-17(8-6-12)10-14-9(13-3)15-11(16-10)18-4/h5-8H2,1-4H3,(H,13,14,15,16).
What are the key properties of 4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80823839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).