N-[2-(3-methoxyphenyl)ethyl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide

C23H23N5O2S — CID 150923835

IUPACN-[2-(3-methoxyphenyl)ethyl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2nc(N[C@@H](C)c3ccccn3)nc3ccsc23)c1
InChIInChI=1S/C23H23N5O2S/c1-15(18-8-3-4-11-24-18)26-23-27-19-10-13-31-21(19)20(28-23)22(29)25-12-9-16-6-5-7-17(14-16)30-2/h3-8,10-11,13-15H,9,12H2,1-2H3,(H,25,29)(H,26,27,28)/t15-/m0/s1
InChIKeyLEPAQXVZNKVMNN-HNNXBMFYSA-N
MW433.54 g/mol
LogP4.24
Rot. Bonds8

About N-[2-(3-methoxyphenyl)ethyl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 150923835) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID150923835
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2nc(N[C@@H](C)c3ccccn3)nc3ccsc23)c1
InChIInChI=1S/C23H23N5O2S/c1-15(18-8-3-4-11-24-18)26-23-27-19-10-13-31-21(19)20(28-23)22(29)25-12-9-16-6-5-7-17(14-16)30-2/h3-8,10-11,13-15H,9,12H2,1-2H3,(H,25,29)(H,26,27,28)/t15-/m0/s1
InChIKeyLEPAQXVZNKVMNN-HNNXBMFYSA-N
XLogP4.24
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide (CID 150923835) is N-[2-(3-methoxyphenyl)ethyl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide is COc1cccc(CCNC(=O)c2nc(N[C@@H](C)c3ccccn3)nc3ccsc23)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is LEPAQXVZNKVMNN-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-15(18-8-3-4-11-24-18)26-23-27-19-10-13-31-21(19)20(28-23)22(29)25-12-9-16-6-5-7-17(14-16)30-2/h3-8,10-11,13-15H,9,12H2,1-2H3,(H,25,29)(H,26,27,28)/t15-/m0/s1.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 433.54 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 150923835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).