3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol

C11H19FN4O — CID 115366489

IUPAC3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCCNc1ncc(F)c(NCC(C)(C)CO)n1
InChIInChI=1S/C11H19FN4O/c1-4-13-10-14-5-8(12)9(16-10)15-6-11(2,3)7-17/h5,17H,4,6-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyRNAYLGBSODBPMT-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.48
Rot. Bonds6

About 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol

3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol (PubChem CID 115366489) has the molecular formula C11H19FN4O and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
PubChem CID115366489
Molecular FormulaC11H19FN4O
Molecular Weight242.30 g/mol
Exact Mass242.15
IUPAC Name3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCCNc1ncc(F)c(NCC(C)(C)CO)n1
InChIInChI=1S/C11H19FN4O/c1-4-13-10-14-5-8(12)9(16-10)15-6-11(2,3)7-17/h5,17H,4,6-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyRNAYLGBSODBPMT-UHFFFAOYSA-N
XLogP1.48
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol with MolForge

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Related Compounds

4-N-(2,2-dimethylbutyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 103466679
2-ethyl-2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propane-1,3-diol
CID 114011060
2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114154605
1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106258036
4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 114150361
2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol
CID 106258388
2-N-ethyl-4-N-(3-ethylpentan-3-yl)-5-fluoropyrimidine-2,4-diamine
CID 80840287
4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80851152
3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179400
3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]hexan-1-ol
CID 106118528
4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 114150365
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 80842696

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol (CID 115366489) is 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol is CCNc1ncc(F)c(NCC(C)(C)CO)n1.
What is the InChIKey of 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol?
The InChIKey is RNAYLGBSODBPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4O/c1-4-13-10-14-5-8(12)9(16-10)15-6-11(2,3)7-17/h5,17H,4,6-7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol?
3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol has a molecular weight of 242.30 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115366489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).