2-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]-3-methoxypropan-1-ol

C11H17F2N3O2 — CID 106198697

IUPAC2-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]-3-methoxypropan-1-ol
SMILESCCNc1nc(NC(CO)COC)c(F)cc1F
InChIInChI=1S/C11H17F2N3O2/c1-3-14-10-8(12)4-9(13)11(16-10)15-7(5-17)6-18-2/h4,7,17H,3,5-6H2,1-2H3,(H2,14,15,16)
InChIKeyNCKICBOBWRWOSE-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.21
Rot. Bonds7

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

2-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]-3-methoxypropan-1-ol (PubChem CID 106198697) has the molecular formula C11H17F2N3O2 and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]-3-methoxypropan-1-ol
PubChem CID106198697
Molecular FormulaC11H17F2N3O2
Molecular Weight261.27 g/mol
Exact Mass261.13
IUPAC Name2-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]-3-methoxypropan-1-ol
SMILESCCNc1nc(NC(CO)COC)c(F)cc1F
InChIInChI=1S/C11H17F2N3O2/c1-3-14-10-8(12)4-9(13)11(16-10)15-7(5-17)6-18-2/h4,7,17H,3,5-6H2,1-2H3,(H2,14,15,16)
InChIKeyNCKICBOBWRWOSE-UHFFFAOYSA-N
XLogP1.21
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]-3-methoxypropan-1-ol (CID 106198697) is 2-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]-3-methoxypropan-1-ol is CCNc1nc(NC(CO)COC)c(F)cc1F.
What is the InChIKey of 2-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]-3-methoxypropan-1-ol?
The InChIKey is NCKICBOBWRWOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O2/c1-3-14-10-8(12)4-9(13)11(16-10)15-7(5-17)6-18-2/h4,7,17H,3,5-6H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]-3-methoxypropan-1-ol?
2-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]-3-methoxypropan-1-ol has a molecular weight of 261.27 g/mol, XLogP of 1.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106198697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).