[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-(4-methylphenyl)methanone

C19H26N6O — CID 47060156

IUPAC[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(Cc3nc(N)nc(N(C)C)n3)CC2)cc1
InChIInChI=1S/C19H26N6O/c1-13-4-6-14(7-5-13)17(26)15-8-10-25(11-9-15)12-16-21-18(20)23-19(22-16)24(2)3/h4-7,15H,8-12H2,1-3H3,(H2,20,21,22,23)
InChIKeyCMFRHNQZDRYFAE-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.92
Rot. Bonds5

About [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-(4-methylphenyl)methanone

[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-(4-methylphenyl)methanone (PubChem CID 47060156) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-(4-methylphenyl)methanone
PubChem CID47060156
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(Cc3nc(N)nc(N(C)C)n3)CC2)cc1
InChIInChI=1S/C19H26N6O/c1-13-4-6-14(7-5-13)17(26)15-8-10-25(11-9-15)12-16-21-18(20)23-19(22-16)24(2)3/h4-7,15H,8-12H2,1-3H3,(H2,20,21,22,23)
InChIKeyCMFRHNQZDRYFAE-UHFFFAOYSA-N
XLogP1.92
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-(4-methylphenyl)methanone (CID 47060156) is [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2CCN(Cc3nc(N)nc(N(C)C)n3)CC2)cc1.
What is the InChIKey of [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is CMFRHNQZDRYFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-13-4-6-14(7-5-13)17(26)15-8-10-25(11-9-15)12-16-21-18(20)23-19(22-16)24(2)3/h4-7,15H,8-12H2,1-3H3,(H2,20,21,22,23).
What are the key properties of [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-(4-methylphenyl)methanone?
[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 354.46 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 47060156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).