3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2,2-difluoropropan-1-ol

C12H19F2N3O2 — CID 106167469

IUPAC3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2,2-difluoropropan-1-ol
SMILESCC(C)(C)Oc1nc(NCC(F)(F)CO)ccc1N
InChIInChI=1S/C12H19F2N3O2/c1-11(2,3)19-10-8(15)4-5-9(17-10)16-6-12(13,14)7-18/h4-5,18H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyMOKHSVRIZFVPKO-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.88
Rot. Bonds5

About 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2,2-difluoropropan-1-ol

3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2,2-difluoropropan-1-ol (PubChem CID 106167469) has the molecular formula C12H19F2N3O2 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2,2-difluoropropan-1-ol
PubChem CID106167469
Molecular FormulaC12H19F2N3O2
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Name3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2,2-difluoropropan-1-ol
SMILESCC(C)(C)Oc1nc(NCC(F)(F)CO)ccc1N
InChIInChI=1S/C12H19F2N3O2/c1-11(2,3)19-10-8(15)4-5-9(17-10)16-6-12(13,14)7-18/h4-5,18H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyMOKHSVRIZFVPKO-UHFFFAOYSA-N
XLogP1.88
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2,2-difluoropropan-1-ol with MolForge

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Related Compounds

4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol
CID 106140773
6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine
CID 106289927
2-N-(2,2-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 103460190
5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol
CID 106141303
2-N-ethyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43260941
2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-ol
CID 43498929
[1-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]cyclopropyl]methanol
CID 115454120
6-[(2-methylpropan-2-yl)oxy]-2-N-prop-2-enylpyridine-2,5-diamine
CID 62500488
2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-N-methylacetamide
CID 43310372
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-2-methylpropan-1-ol
CID 43498830
6-methoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 43261093
3-[(6-amino-2-pyridinyl)amino]-2,2-difluoropropan-1-ol
CID 106174489

Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2,2-difluoropropan-1-ol (CID 106167469) is 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2,2-difluoropropan-1-ol is CC(C)(C)Oc1nc(NCC(F)(F)CO)ccc1N.
What is the InChIKey of 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2,2-difluoropropan-1-ol?
The InChIKey is MOKHSVRIZFVPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O2/c1-11(2,3)19-10-8(15)4-5-9(17-10)16-6-12(13,14)7-18/h4-5,18H,6-7,15H2,1-3H3,(H,16,17).
What are the key properties of 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2,2-difluoropropan-1-ol?
3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2,2-difluoropropan-1-ol has a molecular weight of 275.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106167469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).