2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol

C12H16N4OS — CID 114188665

IUPAC2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
SMILESCCNc1cc(NCC(O)c2ccsc2)ncn1
InChIInChI=1S/C12H16N4OS/c1-2-13-11-5-12(16-8-15-11)14-6-10(17)9-3-4-18-7-9/h3-5,7-8,10,17H,2,6H2,1H3,(H2,13,14,15,16)
InChIKeyQSGHRPOMZYSNRW-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.12
Rot. Bonds6

About 2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol

2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol (PubChem CID 114188665) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
PubChem CID114188665
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
SMILESCCNc1cc(NCC(O)c2ccsc2)ncn1
InChIInChI=1S/C12H16N4OS/c1-2-13-11-5-12(16-8-15-11)14-6-10(17)9-3-4-18-7-9/h3-5,7-8,10,17H,2,6H2,1H3,(H2,13,14,15,16)
InChIKeyQSGHRPOMZYSNRW-UHFFFAOYSA-N
XLogP2.12
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188663
2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 106436357
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779514
2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 143851562
(1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 129335231
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103858145
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid
CID 106435556
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436326
2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103705029
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436448
2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436437
2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 103761546

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol (CID 114188665) is 2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol is CCNc1cc(NCC(O)c2ccsc2)ncn1.
What is the InChIKey of 2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The InChIKey is QSGHRPOMZYSNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-2-13-11-5-12(16-8-15-11)14-6-10(17)9-3-4-18-7-9/h3-5,7-8,10,17H,2,6H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol has a molecular weight of 264.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 114188665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).