(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone

C22H26N4OS — CID 37334279

IUPAC(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
SMILESCCc1nc(C)c2c(C)c(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)sc2n1
InChIInChI=1S/C22H26N4OS/c1-5-18-23-15(3)19-14(2)20(28-21(19)24-18)22(27)26-12-11-25(4)13-17(26)16-9-7-6-8-10-16/h6-10,17H,5,11-13H2,1-4H3/t17-/m1/s1
InChIKeyHSGNBSUCPMOGFD-QGZVFWFLSA-N
MW394.54 g/mol
LogP4.00
Rot. Bonds3

About (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone

(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone (PubChem CID 37334279) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
PubChem CID37334279
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
SMILESCCc1nc(C)c2c(C)c(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)sc2n1
InChIInChI=1S/C22H26N4OS/c1-5-18-23-15(3)19-14(2)20(28-21(19)24-18)22(27)26-12-11-25(4)13-17(26)16-9-7-6-8-10-16/h6-10,17H,5,11-13H2,1-4H3/t17-/m1/s1
InChIKeyHSGNBSUCPMOGFD-QGZVFWFLSA-N
XLogP4.00
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethylpiperazin-1-yl)-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 71877160
3,5-dimethyl-6-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one
CID 37333604
(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(4-methylpiperidin-1-yl)methanone
CID 18156519
(5-ethyl-4-methylthiophen-2-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 46483058
(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-thiomorpholin-4-ylmethanone
CID 56815920
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
[4-(3-chlorophenyl)piperazin-1-yl]-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 33476207
(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(1,4-thiazepan-4-yl)methanone
CID 75403408
(4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72938463
2-[4-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 43045481
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The IUPAC name of (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone (CID 37334279) is (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The canonical SMILES for (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone is CCc1nc(C)c2c(C)c(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)sc2n1.
What is the InChIKey of (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The InChIKey is HSGNBSUCPMOGFD-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-5-18-23-15(3)19-14(2)20(28-21(19)24-18)22(27)26-12-11-25(4)13-17(26)16-9-7-6-8-10-16/h6-10,17H,5,11-13H2,1-4H3/t17-/m1/s1.
What are the key properties of (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone has a molecular weight of 394.54 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone is sourced from PubChem (CID 37334279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).