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

C10H10ClN3OS — CID 103761546

IUPAC2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
SMILESOC(CNc1ccnc(Cl)n1)c1ccsc1
InChIInChI=1S/C10H10ClN3OS/c11-10-12-3-1-9(14-10)13-5-8(15)7-2-4-16-6-7/h1-4,6,8,15H,5H2,(H,12,13,14)
InChIKeyPCGLBWDIIKVEGA-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.34
Rot. Bonds4

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

2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol (PubChem CID 103761546) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
PubChem CID103761546
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
SMILESOC(CNc1ccnc(Cl)n1)c1ccsc1
InChIInChI=1S/C10H10ClN3OS/c11-10-12-3-1-9(14-10)13-5-8(15)7-2-4-16-6-7/h1-4,6,8,15H,5H2,(H,12,13,14)
InChIKeyPCGLBWDIIKVEGA-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

(1S)-2-[(2-chloropyrimidin-4-yl)amino]-1-phenylethanol
CID 87737078
2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436437
2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103705029
2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 106436357
2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol
CID 87727171
(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
CID 94405682
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid
CID 106435556
2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 113412276
2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188456
6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid
CID 114188591
2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188663
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188665

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol (CID 103761546) is 2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol is OC(CNc1ccnc(Cl)n1)c1ccsc1.
What is the InChIKey of 2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
The InChIKey is PCGLBWDIIKVEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c11-10-12-3-1-9(14-10)13-5-8(15)7-2-4-16-6-7/h1-4,6,8,15H,5H2,(H,12,13,14).
What are the key properties of 2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
2-[(2-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-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103761546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).