3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]thieno[3,2-d]pyrimidin-4-one

C19H15N7OS — CID 71454374

IUPAC3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESC[C@H](Nc1ncnc2nc[nH]c12)c1nc2ccsc2c(=O)n1-c1ccccc1
InChIInChI=1S/C19H15N7OS/c1-11(24-17-14-16(21-9-20-14)22-10-23-17)18-25-13-7-8-28-15(13)19(27)26(18)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,21,22,23,24)/t11-/m0/s1
InChIKeyOMURHYASVBANRY-NSHDSACASA-N
MW389.44 g/mol
LogP3.29
Rot. Bonds4

About 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]thieno[3,2-d]pyrimidin-4-one

3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 71454374) has the molecular formula C19H15N7OS and a molecular weight of 389.44 g/mol. Its IUPAC name is 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID71454374
Molecular FormulaC19H15N7OS
Molecular Weight389.44 g/mol
Exact Mass389.11
IUPAC Name3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESC[C@H](Nc1ncnc2nc[nH]c12)c1nc2ccsc2c(=O)n1-c1ccccc1
InChIInChI=1S/C19H15N7OS/c1-11(24-17-14-16(21-9-20-14)22-10-23-17)18-25-13-7-8-28-15(13)19(27)26(18)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,21,22,23,24)/t11-/m0/s1
InChIKeyOMURHYASVBANRY-NSHDSACASA-N
XLogP3.29
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]thieno[3,2-d]pyrimidin-4-one (CID 71454374) is 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]thieno[3,2-d]pyrimidin-4-one is C[C@H](Nc1ncnc2nc[nH]c12)c1nc2ccsc2c(=O)n1-c1ccccc1.
What is the InChIKey of 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is OMURHYASVBANRY-NSHDSACASA-N. The full InChI is InChI=1S/C19H15N7OS/c1-11(24-17-14-16(21-9-20-14)22-10-23-17)18-25-13-7-8-28-15(13)19(27)26(18)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,21,22,23,24)/t11-/m0/s1.
What are the key properties of 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]thieno[3,2-d]pyrimidin-4-one?
3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 389.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 71454374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).