N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C21H26N4OS — CID 8023171

IUPACN-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1[C@@H](CNc1ncnc2sc(C)c(C)c12)N1CCCC1
InChIInChI=1S/C21H26N4OS/c1-14-15(2)27-21-19(14)20(23-13-24-21)22-12-17(25-10-6-7-11-25)16-8-4-5-9-18(16)26-3/h4-5,8-9,13,17H,6-7,10-12H2,1-3H3,(H,22,23,24)/t17-/m1/s1
InChIKeyLSPNOMINLUJHFL-QGZVFWFLSA-N
MW382.53 g/mol
LogP4.57
Rot. Bonds6

About N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 8023171) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID8023171
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC NameN-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1[C@@H](CNc1ncnc2sc(C)c(C)c12)N1CCCC1
InChIInChI=1S/C21H26N4OS/c1-14-15(2)27-21-19(14)20(23-13-24-21)22-12-17(25-10-6-7-11-25)16-8-4-5-9-18(16)26-3/h4-5,8-9,13,17H,6-7,10-12H2,1-3H3,(H,22,23,24)/t17-/m1/s1
InChIKeyLSPNOMINLUJHFL-QGZVFWFLSA-N
XLogP4.57
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 8023168
(1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 2576474
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133319501
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 52677943
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyridin-2-amine
CID 133481541
[(1S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 8017180
2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine
CID 56553723
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969828
(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 7999819
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 39081648
2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine
CID 133370616
1-(azepan-1-yl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081542

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 8023171) is N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is COc1ccccc1[C@@H](CNc1ncnc2sc(C)c(C)c12)N1CCCC1.
What is the InChIKey of N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LSPNOMINLUJHFL-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-14-15(2)27-21-19(14)20(23-13-24-21)22-12-17(25-10-6-7-11-25)16-8-4-5-9-18(16)26-3/h4-5,8-9,13,17H,6-7,10-12H2,1-3H3,(H,22,23,24)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 382.53 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 8023171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).