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

C15H22N4OS — CID 106436326

IUPAC2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
SMILESCNc1cc(NCC(O)c2ccsc2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H22N4OS/c1-15(2,3)14-18-12(16-4)7-13(19-14)17-8-11(20)10-5-6-21-9-10/h5-7,9,11,20H,8H2,1-4H3,(H2,16,17,18,19)
InChIKeyCJZOLCHLYHYFIM-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.02
Rot. Bonds5

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

2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol (PubChem CID 106436326) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
PubChem CID106436326
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
SMILESCNc1cc(NCC(O)c2ccsc2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H22N4OS/c1-15(2,3)14-18-12(16-4)7-13(19-14)17-8-11(20)10-5-6-21-9-10/h5-7,9,11,20H,8H2,1-4H3,(H2,16,17,18,19)
InChIKeyCJZOLCHLYHYFIM-UHFFFAOYSA-N
XLogP3.02
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-tert-butyl-6-(methylamino)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-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 133402202
2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188663
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436448
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967240
2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 106436357
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 106436324
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188665
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-3-ethylpentan-2-ol
CID 106288889
2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 114188661
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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol (CID 106436326) is 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol is CNc1cc(NCC(O)c2ccsc2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The InChIKey is CJZOLCHLYHYFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-15(2,3)14-18-12(16-4)7-13(19-14)17-8-11(20)10-5-6-21-9-10/h5-7,9,11,20H,8H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol has a molecular weight of 306.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106436326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).