[2-(2-phenylethyl)pyrrolidin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone

C22H25N3OS — CID 55924057

IUPAC[2-(2-phenylethyl)pyrrolidin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
SMILESCc1nc(C)c2c(C)c(C(=O)N3CCCC3CCc3ccccc3)sc2n1
InChIInChI=1S/C22H25N3OS/c1-14-19-15(2)23-16(3)24-21(19)27-20(14)22(26)25-13-7-10-18(25)12-11-17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-13H2,1-3H3
InChIKeyZNXNYNVEXCHYFZ-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.85
Rot. Bonds4

About [2-(2-phenylethyl)pyrrolidin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone

[2-(2-phenylethyl)pyrrolidin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone (PubChem CID 55924057) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is [2-(2-phenylethyl)pyrrolidin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name[2-(2-phenylethyl)pyrrolidin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
PubChem CID55924057
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name[2-(2-phenylethyl)pyrrolidin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
SMILESCc1nc(C)c2c(C)c(C(=O)N3CCCC3CCc3ccccc3)sc2n1
InChIInChI=1S/C22H25N3OS/c1-14-19-15(2)23-16(3)24-21(19)27-20(14)22(26)25-13-7-10-18(25)12-11-17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-13H2,1-3H3
InChIKeyZNXNYNVEXCHYFZ-UHFFFAOYSA-N
XLogP4.85
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-phenylethyl)pyrrolidin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of [2-(2-phenylethyl)pyrrolidin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone (CID 55924057) is [2-(2-phenylethyl)pyrrolidin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for [2-(2-phenylethyl)pyrrolidin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for [2-(2-phenylethyl)pyrrolidin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone is Cc1nc(C)c2c(C)c(C(=O)N3CCCC3CCc3ccccc3)sc2n1.
What is the InChIKey of [2-(2-phenylethyl)pyrrolidin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone?
The InChIKey is ZNXNYNVEXCHYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-14-19-15(2)23-16(3)24-21(19)27-20(14)22(26)25-13-7-10-18(25)12-11-17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-13H2,1-3H3.
What are the key properties of [2-(2-phenylethyl)pyrrolidin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone?
[2-(2-phenylethyl)pyrrolidin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone has a molecular weight of 379.53 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenylethyl)pyrrolidin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 55924057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).