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

C11H14N4OS — CID 114188663

IUPAC2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
SMILESCNc1cc(NCC(O)c2ccsc2)ncn1
InChIInChI=1S/C11H14N4OS/c1-12-10-4-11(15-7-14-10)13-5-9(16)8-2-3-17-6-8/h2-4,6-7,9,16H,5H2,1H3,(H2,12,13,14,15)
InChIKeyRIYIVLCDFKCWOT-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.73
Rot. Bonds5

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

2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol (PubChem CID 114188663) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
PubChem CID114188663
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
SMILESCNc1cc(NCC(O)c2ccsc2)ncn1
InChIInChI=1S/C11H14N4OS/c1-12-10-4-11(15-7-14-10)13-5-9(16)8-2-3-17-6-8/h2-4,6-7,9,16H,5H2,1H3,(H2,12,13,14,15)
InChIKeyRIYIVLCDFKCWOT-UHFFFAOYSA-N
XLogP1.73
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188665
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436326
2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 143851562
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436448
(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-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 114188661
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid
CID 106435556
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-thiophen-3-ylethanol
CID 103761546
2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 113412276

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol (CID 114188663) is 2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol is CNc1cc(NCC(O)c2ccsc2)ncn1.
What is the InChIKey of 2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The InChIKey is RIYIVLCDFKCWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-12-10-4-11(15-7-14-10)13-5-9(16)8-2-3-17-6-8/h2-4,6-7,9,16H,5H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol has a molecular weight of 250.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 114188663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).