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

C9H15F2N5O — CID 112746430

IUPAC3-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]-1,1-difluoropropan-2-ol
SMILESCCCc1nc(N)nc(NCC(O)C(F)F)n1
InChIInChI=1S/C9H15F2N5O/c1-2-3-6-14-8(12)16-9(15-6)13-4-5(17)7(10)11/h5,7,17H,2-4H2,1H3,(H3,12,13,14,15,16)
InChIKeyVCMBAVFEAKFEMT-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.44
Rot. Bonds6

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

3-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]-1,1-difluoropropan-2-ol (PubChem CID 112746430) has the molecular formula C9H15F2N5O and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]-1,1-difluoropropan-2-ol
PubChem CID112746430
Molecular FormulaC9H15F2N5O
Molecular Weight247.25 g/mol
Exact Mass247.12
IUPAC Name3-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]-1,1-difluoropropan-2-ol
SMILESCCCc1nc(N)nc(NCC(O)C(F)F)n1
InChIInChI=1S/C9H15F2N5O/c1-2-3-6-14-8(12)16-9(15-6)13-4-5(17)7(10)11/h5,7,17H,2-4H2,1H3,(H3,12,13,14,15,16)
InChIKeyVCMBAVFEAKFEMT-UHFFFAOYSA-N
XLogP0.44
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

Ethanol, 2-((4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl)amino)-
CID 3041948
2-[[4-Methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 21741836
[4,6-Bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]methanol
CID 23198945
N,4-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 123308053
(3-((4-Amino-6-methyl-1,3,5-triazin-2-yl)amino)-2-hydroxypropyl)bromomercury
CID 11971880
(3-((4-Amino-6-methyl-1,3,5-triazin-2-yl)amino)-2-hydroxypropyl)chloromercury
CID 11971881
3-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103702778
3-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)amino]-1,1-difluoropropan-2-ol
CID 105647820
3-[[4-(Ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 105649616
3-[[4-(Dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 105649628
3-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 105649648
3-[[4-(Dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 105649652

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]-1,1-difluoropropan-2-ol (CID 112746430) is 3-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]-1,1-difluoropropan-2-ol is CCCc1nc(N)nc(NCC(O)C(F)F)n1.
What is the InChIKey of 3-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]-1,1-difluoropropan-2-ol?
The InChIKey is VCMBAVFEAKFEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N5O/c1-2-3-6-14-8(12)16-9(15-6)13-4-5(17)7(10)11/h5,7,17H,2-4H2,1H3,(H3,12,13,14,15,16).
What are the key properties of 3-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]-1,1-difluoropropan-2-ol?
3-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]-1,1-difluoropropan-2-ol has a molecular weight of 247.25 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 112746430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).