(4-tert-butylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone

C22H26N4OS — CID 2808486

IUPAC(4-tert-butylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1csc2c(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)ncnc12
InChIInChI=1S/C22H26N4OS/c1-15-13-28-19-18(15)23-14-24-20(19)25-9-11-26(12-10-25)21(27)16-5-7-17(8-6-16)22(2,3)4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyWUOCJVRUQAVSHS-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.26
Rot. Bonds2

About (4-tert-butylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone

(4-tert-butylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 2808486) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID2808486
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name(4-tert-butylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1csc2c(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)ncnc12
InChIInChI=1S/C22H26N4OS/c1-15-13-28-19-18(15)23-14-24-20(19)25-9-11-26(12-10-25)21(27)16-5-7-17(8-6-16)22(2,3)4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyWUOCJVRUQAVSHS-UHFFFAOYSA-N
XLogP4.26
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-[3-(Dimethylamino)propylamino]-2-(methylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]-morpholino-methanone
CID 76310737
1-(4-(6-Ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)-2-phenylethanone
CID 9969173
Biphenyl-4-yl(4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)methanone
CID 10202847
(3-(2-(2-Aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)phenyl)(4-methylpiperazin-1-yl)methanone
CID 46886410
N1-(2-(1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl)ethyl)-N3-ethylisophthalamide
CID 71655060
3-N-[2-[4-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 71655061
N-[4-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 25138097
[4-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-yl)-piperazin-1-yl]-phenyl-methanone
CID 1076192
[4-(2-Ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](phenyl)methanone
CID 1460634
1-Benzoyl-4-{3-phenyl-[1,2]thiazolo[4,5-D]pyrimidin-7-YL}piperazine
CID 1461992
4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-phenyltetrahydropyrazine-1(2H)-carboxamide
CID 2808490
(1-Benzyl-3-tert-butylpyrazol-5-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 44526192

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 2808486) is (4-tert-butylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone is Cc1csc2c(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)ncnc12.
What is the InChIKey of (4-tert-butylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is WUOCJVRUQAVSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-15-13-28-19-18(15)23-14-24-20(19)25-9-11-26(12-10-25)21(27)16-5-7-17(8-6-16)22(2,3)4/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of (4-tert-butylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
(4-tert-butylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 394.54 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 2808486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).