2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol

C15H22N4OS — CID 106436324

IUPAC2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
SMILESCc1c(N)nc(C(C)(C)C)nc1NCC(O)c1ccsc1
InChIInChI=1S/C15H22N4OS/c1-9-12(16)18-14(15(2,3)4)19-13(9)17-7-11(20)10-5-6-21-8-10/h5-6,8,11,20H,7H2,1-4H3,(H3,16,17,18,19)
InChIKeyHSWJEENMHBNCOU-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.87
Rot. Bonds4

About 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol

2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol (PubChem CID 106436324) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
PubChem CID106436324
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
SMILESCc1c(N)nc(C(C)(C)C)nc1NCC(O)c1ccsc1
InChIInChI=1S/C15H22N4OS/c1-9-12(16)18-14(15(2,3)4)19-13(9)17-7-11(20)10-5-6-21-8-10/h5-6,8,11,20H,7H2,1-4H3,(H3,16,17,18,19)
InChIKeyHSWJEENMHBNCOU-UHFFFAOYSA-N
XLogP2.87
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol
CID 80993136
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436326
2-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 106436486
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol
CID 80984904
2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188456
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 133402202
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80779208
2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 106436357
2-[[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]-4,6-dimethylpyridine-3-carbonitrile
CID 124670806
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981481
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188611
2-[(3-amino-5-bromo-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 106434570

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol (CID 106436324) is 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol is Cc1c(N)nc(C(C)(C)C)nc1NCC(O)c1ccsc1.
What is the InChIKey of 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
The InChIKey is HSWJEENMHBNCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-9-12(16)18-14(15(2,3)4)19-13(9)17-7-11(20)10-5-6-21-8-10/h5-6,8,11,20H,7H2,1-4H3,(H3,16,17,18,19).
What are the key properties of 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol has a molecular weight of 306.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106436324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).