ethane;2-phenyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C19H19N5S — CID 143976488

IUPACethane;2-phenyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC.Nc1nc(-c2ccccc2)nc2sc(Cc3cnccn3)cc12
InChIInChI=1S/C17H13N5S.C2H6/c18-15-14-9-13(8-12-10-19-6-7-20-12)23-17(14)22-16(21-15)11-4-2-1-3-5-11;1-2/h1-7,9-10H,8H2,(H2,18,21,22);1-2H3
InChIKeyVFGLTGZLXRHRMZ-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.35
Rot. Bonds3

About ethane;2-phenyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

ethane;2-phenyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 143976488) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is ethane;2-phenyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Nameethane;2-phenyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID143976488
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC Nameethane;2-phenyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC.Nc1nc(-c2ccccc2)nc2sc(Cc3cnccn3)cc12
InChIInChI=1S/C17H13N5S.C2H6/c18-15-14-9-13(8-12-10-19-6-7-20-12)23-17(14)22-16(21-15)11-4-2-1-3-5-11;1-2/h1-7,9-10H,8H2,(H2,18,21,22);1-2H3
InChIKeyVFGLTGZLXRHRMZ-UHFFFAOYSA-N
XLogP4.35
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 143976514
6-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 45274329
6-benzyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 45274225
2-pyrazin-2-yl-6-(2-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 68605859
6-[(3-bromo-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 59278033
6-ethyl-2-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63614813
6-[(6-chloro-3-pyridinyl)methyl]-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 45275186
6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 106849494
2-(3-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 61025887
6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63614303
2-(3,4-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 63615139
3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile
CID 70901414

Frequently Asked Questions

What is the IUPAC name of ethane;2-phenyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of ethane;2-phenyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 143976488) is ethane;2-phenyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for ethane;2-phenyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for ethane;2-phenyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CC.Nc1nc(-c2ccccc2)nc2sc(Cc3cnccn3)cc12.
What is the InChIKey of ethane;2-phenyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VFGLTGZLXRHRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5S.C2H6/c18-15-14-9-13(8-12-10-19-6-7-20-12)23-17(14)22-16(21-15)11-4-2-1-3-5-11;1-2/h1-7,9-10H,8H2,(H2,18,21,22);1-2H3.
What are the key properties of ethane;2-phenyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
ethane;2-phenyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 349.46 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-phenyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 143976488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).