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

C12H20F2N4O2 — CID 106179290

IUPAC3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
SMILESCCNc1cc(NCC(F)(F)CO)nc(COCC)n1
InChIInChI=1S/C12H20F2N4O2/c1-3-15-9-5-10(16-7-12(13,14)8-19)18-11(17-9)6-20-4-2/h5,19H,3-4,6-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyLLEISTFPEHQPBU-UHFFFAOYSA-N
MW290.31 g/mol
LogP1.48
Rot. Bonds9

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

3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol (PubChem CID 106179290) has the molecular formula C12H20F2N4O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
PubChem CID106179290
Molecular FormulaC12H20F2N4O2
Molecular Weight290.31 g/mol
Exact Mass290.16
IUPAC Name3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
SMILESCCNc1cc(NCC(F)(F)CO)nc(COCC)n1
InChIInChI=1S/C12H20F2N4O2/c1-3-15-9-5-10(16-7-12(13,14)8-19)18-11(17-9)6-20-4-2/h5,19H,3-4,6-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyLLEISTFPEHQPBU-UHFFFAOYSA-N
XLogP1.48
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 113401247
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179311
3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106178835
2-(ethoxymethyl)-6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106294436
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 104925423
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366433
4-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149272
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80954643
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179363
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179284
6-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476187
2-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]-ethylamino]acetamide
CID 103104342

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol (CID 106179290) is 3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol is CCNc1cc(NCC(F)(F)CO)nc(COCC)n1.
What is the InChIKey of 3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol?
The InChIKey is LLEISTFPEHQPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N4O2/c1-3-15-9-5-10(16-7-12(13,14)8-19)18-11(17-9)6-20-4-2/h5,19H,3-4,6-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol?
3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol has a molecular weight of 290.31 g/mol, XLogP of 1.48, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106179290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).