2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol

C7H9F2N3O — CID 106171831

IUPAC2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol
SMILESOCC(F)(F)CNc1ccncn1
InChIInChI=1S/C7H9F2N3O/c8-7(9,4-13)3-11-6-1-2-10-5-12-6/h1-2,5,13H,3-4H2,(H,10,11,12)
InChIKeyBQADZQKDIZFNHG-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.52
Rot. Bonds4

About 2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol

2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol (PubChem CID 106171831) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is 2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol
PubChem CID106171831
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol
SMILESOCC(F)(F)CNc1ccncn1
InChIInChI=1S/C7H9F2N3O/c8-7(9,4-13)3-11-6-1-2-10-5-12-6/h1-2,5,13H,3-4H2,(H,10,11,12)
InChIKeyBQADZQKDIZFNHG-UHFFFAOYSA-N
XLogP0.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-3-(pyrazin-2-ylamino)propan-1-ol
CID 104858515
2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol
CID 106179583
2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol
CID 104858561
N,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide
CID 106278325
2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179368
6-(pyrimidin-4-ylamino)hexan-1-ol
CID 107848711
ethane;N-ethylpyrimidin-4-amine
CID 167491074
(2R)-2-(4-methoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-ol
CID 97116725
3-[(6-amino-2-pyridinyl)amino]-2,2-difluoropropan-1-ol
CID 106174489
3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol
CID 106179413
3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol
CID 106174497
2,2-difluoro-3-(quinolin-2-ylamino)propan-1-ol
CID 104858613

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol (CID 106171831) is 2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol is OCC(F)(F)CNc1ccncn1.
What is the InChIKey of 2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol?
The InChIKey is BQADZQKDIZFNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c8-7(9,4-13)3-11-6-1-2-10-5-12-6/h1-2,5,13H,3-4H2,(H,10,11,12).
What are the key properties of 2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol?
2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol has a molecular weight of 189.17 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol is sourced from PubChem (CID 106171831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).