2-[4-[amino(pyridin-2-yl)methyl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]oxy-N,N-dimethylethanamine

C22H23N5OS — CID 68622416

IUPAC2-[4-[amino(pyridin-2-yl)methyl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1nc(C(N)c2ccccn2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C22H23N5OS/c1-27(2)12-13-28-22-25-20(19(23)17-10-6-7-11-24-17)18-16(14-29-21(18)26-22)15-8-4-3-5-9-15/h3-11,14,19H,12-13,23H2,1-2H3
InChIKeyXGIRNXJQHXTSNZ-UHFFFAOYSA-N
MW405.53 g/mol
LogP3.74
Rot. Bonds7

About 2-[4-[amino(pyridin-2-yl)methyl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]oxy-N,N-dimethylethanamine

2-[4-[amino(pyridin-2-yl)methyl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]oxy-N,N-dimethylethanamine (PubChem CID 68622416) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is 2-[4-[amino(pyridin-2-yl)methyl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[amino(pyridin-2-yl)methyl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]oxy-N,N-dimethylethanamine
PubChem CID68622416
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC Name2-[4-[amino(pyridin-2-yl)methyl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1nc(C(N)c2ccccn2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C22H23N5OS/c1-27(2)12-13-28-22-25-20(19(23)17-10-6-7-11-24-17)18-16(14-29-21(18)26-22)15-8-4-3-5-9-15/h3-11,14,19H,12-13,23H2,1-2H3
InChIKeyXGIRNXJQHXTSNZ-UHFFFAOYSA-N
XLogP3.74
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 68622417
2-[(dimethylamino)methyl]-N-methyl-5-phenyl-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 141105809
N,N-dimethyl-1-(5-phenyl-4-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)methanamine
CID 141105825
2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 11360029
N,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)oxy]ethanamine
CID 119090043
(2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 9310948
1-[4-[(2-bromo-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine
CID 133279161
N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 133447047
5-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 18224691
2-ethyl-5-phenyl-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine
CID 123804426
N-methyl-5-(4-methylphenyl)-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 67381989
(2-phenylquinazolin-4-yl)-pyridin-2-ylmethanamine
CID 66893083

Frequently Asked Questions

What is the IUPAC name of 2-[4-[amino(pyridin-2-yl)methyl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[amino(pyridin-2-yl)methyl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]oxy-N,N-dimethylethanamine (CID 68622416) is 2-[4-[amino(pyridin-2-yl)methyl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[amino(pyridin-2-yl)methyl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[amino(pyridin-2-yl)methyl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]oxy-N,N-dimethylethanamine is CN(C)CCOc1nc(C(N)c2ccccn2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-[4-[amino(pyridin-2-yl)methyl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]oxy-N,N-dimethylethanamine?
The InChIKey is XGIRNXJQHXTSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-27(2)12-13-28-22-25-20(19(23)17-10-6-7-11-24-17)18-16(14-29-21(18)26-22)15-8-4-3-5-9-15/h3-11,14,19H,12-13,23H2,1-2H3.
What are the key properties of 2-[4-[amino(pyridin-2-yl)methyl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]oxy-N,N-dimethylethanamine?
2-[4-[amino(pyridin-2-yl)methyl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]oxy-N,N-dimethylethanamine has a molecular weight of 405.53 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[amino(pyridin-2-yl)methyl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 68622416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).