3-[[6-(ethylamino)pyrazin-2-yl]amino]-2,2-difluoropropan-1-ol

C9H14F2N4O — CID 104858489

IUPAC3-[[6-(ethylamino)pyrazin-2-yl]amino]-2,2-difluoropropan-1-ol
SMILESCCNc1cncc(NCC(F)(F)CO)n1
InChIInChI=1S/C9H14F2N4O/c1-2-13-7-3-12-4-8(15-7)14-5-9(10,11)6-16/h3-4,16H,2,5-6H2,1H3,(H2,13,14,15)
InChIKeyOFERZDCSHTYPAG-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.95
Rot. Bonds6

About 3-[[6-(ethylamino)pyrazin-2-yl]amino]-2,2-difluoropropan-1-ol

3-[[6-(ethylamino)pyrazin-2-yl]amino]-2,2-difluoropropan-1-ol (PubChem CID 104858489) has the molecular formula C9H14F2N4O and a molecular weight of 232.23 g/mol. Its IUPAC name is 3-[[6-(ethylamino)pyrazin-2-yl]amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[[6-(ethylamino)pyrazin-2-yl]amino]-2,2-difluoropropan-1-ol
PubChem CID104858489
Molecular FormulaC9H14F2N4O
Molecular Weight232.23 g/mol
Exact Mass232.11
IUPAC Name3-[[6-(ethylamino)pyrazin-2-yl]amino]-2,2-difluoropropan-1-ol
SMILESCCNc1cncc(NCC(F)(F)CO)n1
InChIInChI=1S/C9H14F2N4O/c1-2-13-7-3-12-4-8(15-7)14-5-9(10,11)6-16/h3-4,16H,2,5-6H2,1H3,(H2,13,14,15)
InChIKeyOFERZDCSHTYPAG-UHFFFAOYSA-N
XLogP0.95
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)pyrazin-2-yl]amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[[6-(ethylamino)pyrazin-2-yl]amino]-2,2-difluoropropan-1-ol (CID 104858489) is 3-[[6-(ethylamino)pyrazin-2-yl]amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[[6-(ethylamino)pyrazin-2-yl]amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[[6-(ethylamino)pyrazin-2-yl]amino]-2,2-difluoropropan-1-ol is CCNc1cncc(NCC(F)(F)CO)n1.
What is the InChIKey of 3-[[6-(ethylamino)pyrazin-2-yl]amino]-2,2-difluoropropan-1-ol?
The InChIKey is OFERZDCSHTYPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O/c1-2-13-7-3-12-4-8(15-7)14-5-9(10,11)6-16/h3-4,16H,2,5-6H2,1H3,(H2,13,14,15).
What are the key properties of 3-[[6-(ethylamino)pyrazin-2-yl]amino]-2,2-difluoropropan-1-ol?
3-[[6-(ethylamino)pyrazin-2-yl]amino]-2,2-difluoropropan-1-ol has a molecular weight of 232.23 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)pyrazin-2-yl]amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104858489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).