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

C11H18F2N6O — CID 106179268

IUPAC3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2,2-difluoropropan-1-ol
SMILESNc1nc(NCC(F)(F)CO)nc(N2CCCCC2)n1
InChIInChI=1S/C11H18F2N6O/c12-11(13,7-20)6-15-9-16-8(14)17-10(18-9)19-4-2-1-3-5-19/h20H,1-7H2,(H3,14,15,16,17,18)
InChIKeyYUHYYWGYTJVXSR-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.48
Rot. Bonds5

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

3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106179268) has the molecular formula C11H18F2N6O and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106179268
Molecular FormulaC11H18F2N6O
Molecular Weight288.30 g/mol
Exact Mass288.15
IUPAC Name3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2,2-difluoropropan-1-ol
SMILESNc1nc(NCC(F)(F)CO)nc(N2CCCCC2)n1
InChIInChI=1S/C11H18F2N6O/c12-11(13,7-20)6-15-9-16-8(14)17-10(18-9)19-4-2-1-3-5-19/h20H,1-7H2,(H3,14,15,16,17,18)
InChIKeyYUHYYWGYTJVXSR-UHFFFAOYSA-N
XLogP0.48
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2,2-difluoropropan-1-ol (CID 106179268) is 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2,2-difluoropropan-1-ol is Nc1nc(NCC(F)(F)CO)nc(N2CCCCC2)n1.
What is the InChIKey of 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is YUHYYWGYTJVXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N6O/c12-11(13,7-20)6-15-9-16-8(14)17-10(18-9)19-4-2-1-3-5-19/h20H,1-7H2,(H3,14,15,16,17,18).
What are the key properties of 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2,2-difluoropropan-1-ol?
3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 288.30 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106179268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).