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

C22H23N3S — CID 143976514

IUPACethane;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC.Nc1nc(-c2ccccc2)nc2sc(CCc3ccccc3)cc12
InChIInChI=1S/C20H17N3S.C2H6/c21-18-17-13-16(12-11-14-7-3-1-4-8-14)24-20(17)23-19(22-18)15-9-5-2-6-10-15;1-2/h1-10,13H,11-12H2,(H2,21,22,23);1-2H3
InChIKeyBHONJJFQYXKWPZ-UHFFFAOYSA-N
MW361.51 g/mol
LogP5.75
Rot. Bonds4

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

ethane;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 143976514) has the molecular formula C22H23N3S and a molecular weight of 361.51 g/mol. Its IUPAC name is ethane;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Nameethane;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID143976514
Molecular FormulaC22H23N3S
Molecular Weight361.51 g/mol
Exact Mass361.16
IUPAC Nameethane;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC.Nc1nc(-c2ccccc2)nc2sc(CCc3ccccc3)cc12
InChIInChI=1S/C20H17N3S.C2H6/c21-18-17-13-16(12-11-14-7-3-1-4-8-14)24-20(17)23-19(22-18)15-9-5-2-6-10-15;1-2/h1-10,13H,11-12H2,(H2,21,22,23);1-2H3
InChIKeyBHONJJFQYXKWPZ-UHFFFAOYSA-N
XLogP5.75
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.51
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-phenyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 143976488
6-benzyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 45274225
6-ethyl-2-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63614813
6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 106849494
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
6-benzyl-2-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;bis(6-benzyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine);2-(3-ethynylphenyl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 158360562
6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 59276729
6-[(6-chloro-3-pyridinyl)methyl]-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 45275186
2,5-diphenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 155543719
6-[(3-bromo-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 59278033
2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45278785

Frequently Asked Questions

What is the IUPAC name of ethane;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of ethane;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 143976514) is ethane;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for ethane;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for ethane;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is CC.Nc1nc(-c2ccccc2)nc2sc(CCc3ccccc3)cc12.
What is the InChIKey of ethane;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BHONJJFQYXKWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3S.C2H6/c21-18-17-13-16(12-11-14-7-3-1-4-8-14)24-20(17)23-19(22-18)15-9-5-2-6-10-15;1-2/h1-10,13H,11-12H2,(H2,21,22,23);1-2H3.
What are the key properties of ethane;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
ethane;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 361.51 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 143976514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).