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

C19H15N7OS — CID 24802592

IUPAC2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one
SMILESCC(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)
InChIKeyMHPVRYQHDKYIDU-UHFFFAOYSA-N
MW389.44 g/mol
LogP2.78
Rot. Bonds3

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

2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 24802592) has the molecular formula C19H15N7OS and a molecular weight of 389.44 g/mol. Its IUPAC name is 2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one
PubChem CID24802592
Molecular FormulaC19H15N7OS
Molecular Weight389.44 g/mol
Exact Mass389.11
IUPAC Name2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one
SMILESCC(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)
InChIKeyMHPVRYQHDKYIDU-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one (CID 24802592) is 2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one is CC(c1nc2ccsc2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc21.
What is the InChIKey of 2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is MHPVRYQHDKYIDU-UHFFFAOYSA-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).
What are the key properties of 2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one?
2-[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-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 24802592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).