2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol

C11H13FN4OS — CID 106436412

IUPAC2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
SMILESCNc1ncc(F)c(NCC(O)c2ccsc2)n1
InChIInChI=1S/C11H13FN4OS/c1-13-11-15-4-8(12)10(16-11)14-5-9(17)7-2-3-18-6-7/h2-4,6,9,17H,5H2,1H3,(H2,13,14,15,16)
InChIKeyLVRZPELWWBIXQT-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.86
Rot. Bonds5

About 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol

2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol (PubChem CID 106436412) has the molecular formula C11H13FN4OS and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
PubChem CID106436412
Molecular FormulaC11H13FN4OS
Molecular Weight268.32 g/mol
Exact Mass268.08
IUPAC Name2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
SMILESCNc1ncc(F)c(NCC(O)c2ccsc2)n1
InChIInChI=1S/C11H13FN4OS/c1-13-11-15-4-8(12)10(16-11)14-5-9(17)7-2-3-18-6-7/h2-4,6,9,17H,5H2,1H3,(H2,13,14,15,16)
InChIKeyLVRZPELWWBIXQT-UHFFFAOYSA-N
XLogP1.86
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188670
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779218
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 106436527
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436448
2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80907262
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80819052
2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188663
2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 114188661
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188611
2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 106435613
5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid
CID 106435593
5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138236

Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol (CID 106436412) is 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol is CNc1ncc(F)c(NCC(O)c2ccsc2)n1.
What is the InChIKey of 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The InChIKey is LVRZPELWWBIXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4OS/c1-13-11-15-4-8(12)10(16-11)14-5-9(17)7-2-3-18-6-7/h2-4,6,9,17H,5H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol has a molecular weight of 268.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106436412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).