2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol

C12H21FN4O — CID 106258388

IUPAC2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1nc(NC)ncc1F
InChIInChI=1S/C12H21FN4O/c1-4-12(5-2,8-18)7-16-10-9(13)6-15-11(14-3)17-10/h6,18H,4-5,7-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyUHEBFYULNQNCQX-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.87
Rot. Bonds7

About 2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol

2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol (PubChem CID 106258388) has the molecular formula C12H21FN4O and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol
PubChem CID106258388
Molecular FormulaC12H21FN4O
Molecular Weight256.32 g/mol
Exact Mass256.17
IUPAC Name2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1nc(NC)ncc1F
InChIInChI=1S/C12H21FN4O/c1-4-12(5-2,8-18)7-16-10-9(13)6-15-11(14-3)17-10/h6,18H,4-5,7-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyUHEBFYULNQNCQX-UHFFFAOYSA-N
XLogP1.87
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol with MolForge

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Related Compounds

2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258368
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 80841199
4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 114150361
3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366489
2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol
CID 106258505
4-N-(2,2-dimethylbutyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 103466679
2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114154605
5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80828658
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779218
4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80768846
5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138236
2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol
CID 106258279

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol (CID 106258388) is 2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol is CCC(CC)(CO)CNc1nc(NC)ncc1F.
What is the InChIKey of 2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol?
The InChIKey is UHEBFYULNQNCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN4O/c1-4-12(5-2,8-18)7-16-10-9(13)6-15-11(14-3)17-10/h6,18H,4-5,7-8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol?
2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol has a molecular weight of 256.32 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol is sourced from PubChem (CID 106258388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).