2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol

C11H17F2N3O — CID 114074838

IUPAC2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol
SMILESCNc1nc(NC(CO)C(C)C)c(F)cc1F
InChIInChI=1S/C11H17F2N3O/c1-6(2)9(5-17)15-11-8(13)4-7(12)10(14-3)16-11/h4,6,9,17H,5H2,1-3H3,(H2,14,15,16)
InChIKeyHDYJPYKMWKFBRO-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.83
Rot. Bonds5

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

2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol (PubChem CID 114074838) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol
PubChem CID114074838
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol
SMILESCNc1nc(NC(CO)C(C)C)c(F)cc1F
InChIInChI=1S/C11H17F2N3O/c1-6(2)9(5-17)15-11-8(13)4-7(12)10(14-3)16-11/h4,6,9,17H,5H2,1-3H3,(H2,14,15,16)
InChIKeyHDYJPYKMWKFBRO-UHFFFAOYSA-N
XLogP1.83
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol (CID 114074838) is 2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol is CNc1nc(NC(CO)C(C)C)c(F)cc1F.
What is the InChIKey of 2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol?
The InChIKey is HDYJPYKMWKFBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-6(2)9(5-17)15-11-8(13)4-7(12)10(14-3)16-11/h4,6,9,17H,5H2,1-3H3,(H2,14,15,16).
What are the key properties of 2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol?
2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol has a molecular weight of 245.27 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 114074838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).