2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol

C16H23N3O2S — CID 133402202

IUPAC2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
SMILESCOCc1cc(NCC(O)c2ccsc2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H23N3O2S/c1-16(2,3)15-18-12(9-21-4)7-14(19-15)17-8-13(20)11-5-6-22-10-11/h5-7,10,13,20H,8-9H2,1-4H3,(H,17,18,19)
InChIKeyPZHJEHYHELEPQG-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.13
Rot. Bonds6

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

2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol (PubChem CID 133402202) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
PubChem CID133402202
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
SMILESCOCc1cc(NCC(O)c2ccsc2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H23N3O2S/c1-16(2,3)15-18-12(9-21-4)7-14(19-15)17-8-13(20)11-5-6-22-10-11/h5-7,10,13,20H,8-9H2,1-4H3,(H,17,18,19)
InChIKeyPZHJEHYHELEPQG-UHFFFAOYSA-N
XLogP3.13
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436326
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(4-chloro-3-fluorophenyl)ethanol
CID 133430921
2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 106436357
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436448
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 106436324
2-tert-butyl-N-[[4-(difluoromethyl)phenyl]methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133474597
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188665
2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188663
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
2-[(6-chloro-4-nitro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103888758
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 106434587

Frequently Asked Questions

What is the IUPAC name of 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol (CID 133402202) is 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol is COCc1cc(NCC(O)c2ccsc2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The InChIKey is PZHJEHYHELEPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-16(2,3)15-18-12(9-21-4)7-14(19-15)17-8-13(20)11-5-6-22-10-11/h5-7,10,13,20H,8-9H2,1-4H3,(H,17,18,19).
What are the key properties of 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol has a molecular weight of 321.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 133402202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).