3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol

C8H13F2N5O — CID 106179284

IUPAC3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
SMILESCNc1cc(NCC(F)(F)CO)nc(N)n1
InChIInChI=1S/C8H13F2N5O/c1-12-5-2-6(15-7(11)14-5)13-3-8(9,10)4-16/h2,16H,3-4H2,1H3,(H4,11,12,13,14,15)
InChIKeyGEGWVLUKEIXBBX-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.14
Rot. Bonds5

About 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol

3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol (PubChem CID 106179284) has the molecular formula C8H13F2N5O and a molecular weight of 233.22 g/mol. Its IUPAC name is 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
PubChem CID106179284
Molecular FormulaC8H13F2N5O
Molecular Weight233.22 g/mol
Exact Mass233.11
IUPAC Name3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
SMILESCNc1cc(NCC(F)(F)CO)nc(N)n1
InChIInChI=1S/C8H13F2N5O/c1-12-5-2-6(15-7(11)14-5)13-3-8(9,10)4-16/h2,16H,3-4H2,1H3,(H4,11,12,13,14,15)
InChIKeyGEGWVLUKEIXBBX-UHFFFAOYSA-N
XLogP0.14
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol with MolForge

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Related Compounds

3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179311
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80778887
2,2-difluoro-3-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 106179429
2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179435
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855657
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 104925423
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179444
4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 115409505
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179363
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
3-[(2,6-difluoropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 164647732

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol (CID 106179284) is 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol is CNc1cc(NCC(F)(F)CO)nc(N)n1.
What is the InChIKey of 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol?
The InChIKey is GEGWVLUKEIXBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N5O/c1-12-5-2-6(15-7(11)14-5)13-3-8(9,10)4-16/h2,16H,3-4H2,1H3,(H4,11,12,13,14,15).
What are the key properties of 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol?
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol has a molecular weight of 233.22 g/mol, XLogP of 0.14, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106179284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).