2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol

C13H17N3O3S — CID 106434750

IUPAC2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol
SMILESCOc1ncnc(OC)c1CNCC(O)c1ccsc1
InChIInChI=1S/C13H17N3O3S/c1-18-12-10(13(19-2)16-8-15-12)5-14-6-11(17)9-3-4-20-7-9/h3-4,7-8,11,14,17H,5-6H2,1-2H3
InChIKeyKIJCFLKETPLBFF-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.38
Rot. Bonds7

About 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol

2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol (PubChem CID 106434750) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol
PubChem CID106434750
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol
SMILESCOc1ncnc(OC)c1CNCC(O)c1ccsc1
InChIInChI=1S/C13H17N3O3S/c1-18-12-10(13(19-2)16-8-15-12)5-14-6-11(17)9-3-4-20-7-9/h3-4,7-8,11,14,17H,5-6H2,1-2H3
InChIKeyKIJCFLKETPLBFF-UHFFFAOYSA-N
XLogP1.38
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 103685342
2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol
CID 104755790
1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol
CID 106435290
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol
CID 106435058
2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol
CID 106435231
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol
CID 103685180
2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol
CID 106435304
2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103685321
2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol
CID 111440446
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol (CID 106434750) is 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol is COc1ncnc(OC)c1CNCC(O)c1ccsc1.
What is the InChIKey of 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol?
The InChIKey is KIJCFLKETPLBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-18-12-10(13(19-2)16-8-15-12)5-14-6-11(17)9-3-4-20-7-9/h3-4,7-8,11,14,17H,5-6H2,1-2H3.
What are the key properties of 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol?
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol has a molecular weight of 295.36 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106434750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).