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

C9H14F2N4O — CID 104925423

IUPAC3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCc1nc(N)cc(NCC(F)(F)CO)n1
InChIInChI=1S/C9H14F2N4O/c1-2-7-14-6(12)3-8(15-7)13-4-9(10,11)5-16/h3,16H,2,4-5H2,1H3,(H3,12,13,14,15)
InChIKeyPNOPDPJGMFYNBP-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.66
Rot. Bonds5

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

3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 104925423) has the molecular formula C9H14F2N4O and a molecular weight of 232.23 g/mol. Its IUPAC name is 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID104925423
Molecular FormulaC9H14F2N4O
Molecular Weight232.23 g/mol
Exact Mass232.11
IUPAC Name3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCc1nc(N)cc(NCC(F)(F)CO)n1
InChIInChI=1S/C9H14F2N4O/c1-2-7-14-6(12)3-8(15-7)13-4-9(10,11)5-16/h3,16H,2,4-5H2,1H3,(H3,12,13,14,15)
InChIKeyPNOPDPJGMFYNBP-UHFFFAOYSA-N
XLogP0.66
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(6-amino-2-ethylpyrimidin-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
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179444
3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179314
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179284
5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol
CID 107302539
3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179290
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106179255
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366433
3-[(6-amino-2-pyridinyl)amino]-2,2-difluoropropan-1-ol
CID 106174489
2-ethyl-4-N-octylpyrimidine-4,6-diamine
CID 113336788
2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine
CID 80939664
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179363

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (CID 104925423) is 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol is CCc1nc(N)cc(NCC(F)(F)CO)n1.
What is the InChIKey of 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is PNOPDPJGMFYNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O/c1-2-7-14-6(12)3-8(15-7)13-4-9(10,11)5-16/h3,16H,2,4-5H2,1H3,(H3,12,13,14,15).
What are the key properties of 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 232.23 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104925423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).