2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol

C10H10ClN3OS — CID 102975891

IUPAC2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
SMILESOC(CNc1ncncc1Cl)c1ccsc1
InChIInChI=1S/C10H10ClN3OS/c11-8-3-12-6-14-10(8)13-4-9(15)7-1-2-16-5-7/h1-3,5-6,9,15H,4H2,(H,12,13,14)
InChIKeyZSINLUQIRREAHK-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.34
Rot. Bonds4

About 2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol

2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol (PubChem CID 102975891) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
PubChem CID102975891
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
SMILESOC(CNc1ncncc1Cl)c1ccsc1
InChIInChI=1S/C10H10ClN3OS/c11-8-3-12-6-14-10(8)13-4-9(15)7-1-2-16-5-7/h1-3,5-6,9,15H,4H2,(H,12,13,14)
InChIKeyZSINLUQIRREAHK-UHFFFAOYSA-N
XLogP2.34
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188670
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 106436527
2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103705029
5-chloro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 105369294
2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 103761546
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103715894
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188611
2-[(3-amino-5-bromo-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 106434570
3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106170483
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436412
5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid
CID 106435593
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188665

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol (CID 102975891) is 2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol is OC(CNc1ncncc1Cl)c1ccsc1.
What is the InChIKey of 2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
The InChIKey is ZSINLUQIRREAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c11-8-3-12-6-14-10(8)13-4-9(15)7-1-2-16-5-7/h1-3,5-6,9,15H,4H2,(H,12,13,14).
What are the key properties of 2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol has a molecular weight of 255.73 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 102975891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).