3-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol

C13H23F2N7O — CID 131962944

IUPAC3-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol
SMILESCN(C)c1nc(N)nc(CN2CCN(CC(F)(F)CO)CC2)n1
InChIInChI=1S/C13H23F2N7O/c1-20(2)12-18-10(17-11(16)19-12)7-21-3-5-22(6-4-21)8-13(14,15)9-23/h23H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyPVTADSPWAZMUED-UHFFFAOYSA-N
MW331.37 g/mol
LogP-0.74
Rot. Bonds6

About 3-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol

3-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol (PubChem CID 131962944) has the molecular formula C13H23F2N7O and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol
PubChem CID131962944
Molecular FormulaC13H23F2N7O
Molecular Weight331.37 g/mol
Exact Mass331.19
IUPAC Name3-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol
SMILESCN(C)c1nc(N)nc(CN2CCN(CC(F)(F)CO)CC2)n1
InChIInChI=1S/C13H23F2N7O/c1-20(2)12-18-10(17-11(16)19-12)7-21-3-5-22(6-4-21)8-13(14,15)9-23/h23H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyPVTADSPWAZMUED-UHFFFAOYSA-N
XLogP-0.74
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-Piperazineethanol, 4-(4-amino-6-trifluoromethyl-2-s-triazinyl)-
CID 3041956
2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103857860
2-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864972
2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485352
2-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485609
3-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111913487
2-[4-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol
CID 42926008
1-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-ol
CID 18124363
2-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol
CID 40084403
2-[4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol
CID 40084405
1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-ol
CID 60670253
2-[4-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperazin-1-yl]ethanol
CID 60670291

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol (CID 131962944) is 3-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol is CN(C)c1nc(N)nc(CN2CCN(CC(F)(F)CO)CC2)n1.
What is the InChIKey of 3-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol?
The InChIKey is PVTADSPWAZMUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2N7O/c1-20(2)12-18-10(17-11(16)19-12)7-21-3-5-22(6-4-21)8-13(14,15)9-23/h23H,3-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 3-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol?
3-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol has a molecular weight of 331.37 g/mol, XLogP of -0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 131962944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).