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

C15H25F2N3O — CID 106150078

IUPAC5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol
SMILESCCCNc1nc(NCC(C)(C)CCCO)c(F)cc1F
InChIInChI=1S/C15H25F2N3O/c1-4-7-18-13-11(16)9-12(17)14(20-13)19-10-15(2,3)6-5-8-21/h9,21H,4-8,10H2,1-3H3,(H2,18,19,20)
InChIKeySLAFZUYJHIGUFU-UHFFFAOYSA-N
MW301.38 g/mol
LogP3.39
Rot. Bonds9

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

5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol (PubChem CID 106150078) has the molecular formula C15H25F2N3O and a molecular weight of 301.38 g/mol. Its IUPAC name is 5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol
PubChem CID106150078
Molecular FormulaC15H25F2N3O
Molecular Weight301.38 g/mol
Exact Mass301.20
IUPAC Name5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol
SMILESCCCNc1nc(NCC(C)(C)CCCO)c(F)cc1F
InChIInChI=1S/C15H25F2N3O/c1-4-7-18-13-11(16)9-12(17)14(20-13)19-10-15(2,3)6-5-8-21/h9,21H,4-8,10H2,1-3H3,(H2,18,19,20)
InChIKeySLAFZUYJHIGUFU-UHFFFAOYSA-N
XLogP3.39
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 114150408
5-[(6-amino-3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 106149965
5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106149949
3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine
CID 106296104
5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide
CID 106241585
2-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]acetamide
CID 114074035
5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 103896010
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771875
2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol
CID 106258505
3,5-difluoro-2-N-propyl-6-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine
CID 106219622
5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 103895914
6-(2-cyclopropylethoxy)-3,5-difluoro-N-propylpyridin-2-amine
CID 106207560

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol (CID 106150078) is 5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol is CCCNc1nc(NCC(C)(C)CCCO)c(F)cc1F.
What is the InChIKey of 5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol?
The InChIKey is SLAFZUYJHIGUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N3O/c1-4-7-18-13-11(16)9-12(17)14(20-13)19-10-15(2,3)6-5-8-21/h9,21H,4-8,10H2,1-3H3,(H2,18,19,20).
What are the key properties of 5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol?
5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol has a molecular weight of 301.38 g/mol, XLogP of 3.39, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106150078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).