5-[(6-amino-3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol

C12H19F2N3O — CID 106149965

IUPAC5-[(6-amino-3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNc1nc(N)c(F)cc1F
InChIInChI=1S/C12H19F2N3O/c1-12(2,4-3-5-18)7-16-11-9(14)6-8(13)10(15)17-11/h6,18H,3-5,7H2,1-2H3,(H3,15,16,17)
InChIKeyCIUOKALAGPIOEP-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.15
Rot. Bonds6

About 5-[(6-amino-3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol

5-[(6-amino-3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106149965) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 5-[(6-amino-3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(6-amino-3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106149965
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name5-[(6-amino-3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNc1nc(N)c(F)cc1F
InChIInChI=1S/C12H19F2N3O/c1-12(2,4-3-5-18)7-16-11-9(14)6-8(13)10(15)17-11/h6,18H,3-5,7H2,1-2H3,(H3,15,16,17)
InChIKeyCIUOKALAGPIOEP-UHFFFAOYSA-N
XLogP2.15
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-amino-3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(6-amino-3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol (CID 106149965) is 5-[(6-amino-3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(6-amino-3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(6-amino-3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNc1nc(N)c(F)cc1F.
What is the InChIKey of 5-[(6-amino-3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is CIUOKALAGPIOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c1-12(2,4-3-5-18)7-16-11-9(14)6-8(13)10(15)17-11/h6,18H,3-5,7H2,1-2H3,(H3,15,16,17).
What are the key properties of 5-[(6-amino-3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol?
5-[(6-amino-3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 259.30 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-amino-3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106149965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).