2-[(1S)-1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one

C19H15N7OS — CID 71457926

IUPAC2-[(1S)-1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one
SMILESC[C@@H](c1nc2ccsc2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc21
InChIInChI=1S/C19H15N7OS/c1-11(25-10-23-14-16(20)21-9-22-18(14)25)17-24-13-7-8-28-15(13)19(27)26(17)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,21,22)/t11-/m0/s1
InChIKeyMHPVRYQHDKYIDU-NSHDSACASA-N
MW389.44 g/mol
LogP2.78
Rot. Bonds3

About 2-[(1S)-1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one

2-[(1S)-1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 71457926) has the molecular formula C19H15N7OS and a molecular weight of 389.44 g/mol. Its IUPAC name is 2-[(1S)-1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one
PubChem CID71457926
Molecular FormulaC19H15N7OS
Molecular Weight389.44 g/mol
Exact Mass389.11
IUPAC Name2-[(1S)-1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one
SMILESC[C@@H](c1nc2ccsc2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc21
InChIInChI=1S/C19H15N7OS/c1-11(25-10-23-14-16(20)21-9-22-18(14)25)17-24-13-7-8-28-15(13)19(27)26(17)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,21,22)/t11-/m0/s1
InChIKeyMHPVRYQHDKYIDU-NSHDSACASA-N
XLogP2.78
TPSA104.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide
CID 127036564
N-(1-propyl-5-benzimidazolyl)-2-thiophenecarboxamide
CID 828719
2-amino-1-pentyl-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 1864686
N-(2-(2-(Acetylamino)ethyl)-1-methyl-1H-benzimidazol-5-yl)-2-thiophenecarboxamide
CID 4971215
N-{1-methyl-2-[2-(propanoylamino)ethyl]-1H-benzimidazol-5-yl}thiophene-2-carboxamide
CID 6484089
4-[4-(2-Pyrrolidin-1-ylethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 71654914
2-N-[2-[4-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-5-N-ethylthiophene-2,5-dicarboxamide
CID 71655062
[4-(1-Isopropyl-1H-benzoimidazol-2-yl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 651028
2-amino-1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 662400
2-amino-1-(2-methylpropyl)-N-[(thiophen-2-yl)methyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 662466
3-hexyl-11-(thiophen-2-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
CID 664247
N-[2-(1-propyl-1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 751300

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[(1S)-1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one (CID 71457926) is 2-[(1S)-1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(1S)-1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[(1S)-1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one is C[C@@H](c1nc2ccsc2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc21.
What is the InChIKey of 2-[(1S)-1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is MHPVRYQHDKYIDU-NSHDSACASA-N. The full InChI is InChI=1S/C19H15N7OS/c1-11(25-10-23-14-16(20)21-9-22-18(14)25)17-24-13-7-8-28-15(13)19(27)26(17)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,21,22)/t11-/m0/s1.
What are the key properties of 2-[(1S)-1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one?
2-[(1S)-1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 389.44 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 71457926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).