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

C12H18F2N2O — CID 107153237

IUPAC1-[(3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1ncc(F)cc1F
InChIInChI=1S/C12H18F2N2O/c1-12(2,3)5-9(17)7-16-11-10(14)4-8(13)6-15-11/h4,6,9,17H,5,7H2,1-3H3,(H,15,16)
InChIKeyYZILTBGBEQUKMC-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.57
Rot. Bonds4

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

1-[(3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 107153237) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 1-[(3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
PubChem CID107153237
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name1-[(3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1ncc(F)cc1F
InChIInChI=1S/C12H18F2N2O/c1-12(2,3)5-9(17)7-16-11-10(14)4-8(13)6-15-11/h4,6,9,17H,5,7H2,1-3H3,(H,15,16)
InChIKeyYZILTBGBEQUKMC-UHFFFAOYSA-N
XLogP2.57
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102913974
1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107154908
1-[(3,5-dichloro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
CID 107153275
N-(3,5-difluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112676237
3,5-difluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine
CID 112675888
3,5-difluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617532
1-[(3,6-dimethylpyrazin-2-yl)amino]-4,4-dimethylpentan-2-ol
CID 104695495
1-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107154916
1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 104919061
N-(3,3-difluoropropyl)-3,5-difluoropyridin-2-amine
CID 127013338
1-[(5-iodopyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol
CID 104843838
3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine
CID 130632036

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol (CID 107153237) is 1-[(3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNc1ncc(F)cc1F.
What is the InChIKey of 1-[(3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is YZILTBGBEQUKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-12(2,3)5-9(17)7-16-11-10(14)4-8(13)6-15-11/h4,6,9,17H,5,7H2,1-3H3,(H,15,16).
What are the key properties of 1-[(3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol?
1-[(3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 244.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107153237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).