(4-benzylpiperazin-1-yl)-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methanone

C23H27N5O2S — CID 3238113

IUPAC(4-benzylpiperazin-1-yl)-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methanone
SMILESCc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2ncnc(N3CCOCC3)c12
InChIInChI=1S/C23H27N5O2S/c1-17-19-21(27-11-13-30-14-12-27)24-16-25-22(19)31-20(17)23(29)28-9-7-26(8-10-28)15-18-5-3-2-4-6-18/h2-6,16H,7-15H2,1H3
InChIKeyWVNBKDCUJRTUBD-UHFFFAOYSA-N
MW437.57 g/mol
LogP2.79
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methanone

(4-benzylpiperazin-1-yl)-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methanone (PubChem CID 3238113) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methanone
PubChem CID3238113
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC Name(4-benzylpiperazin-1-yl)-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methanone
SMILESCc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2ncnc(N3CCOCC3)c12
InChIInChI=1S/C23H27N5O2S/c1-17-19-21(27-11-13-30-14-12-27)24-16-25-22(19)31-20(17)23(29)28-9-7-26(8-10-28)15-18-5-3-2-4-6-18/h2-6,16H,7-15H2,1H3
InChIKeyWVNBKDCUJRTUBD-UHFFFAOYSA-N
XLogP2.79
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-benzylpiperazin-1-yl)-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methanone with MolForge

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Related Compounds

13-(Dimethylamino)-5-(4-methylphenyl)-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 57559287
6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-N,5-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 3244926
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4162441
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
Biphenyl-4-yl(4-(6-ethyl-2-(3-hydroxypyrrolidin-1-yl)thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)methanone
CID 11955421
3-(Methylamino)-11-(4-methylphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 16117434
3-(Dimethylamino)-11-(4-methylphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 16118818
3-(Ethylamino)-11-(4-methylphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 16118942
(E)-1-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-morpholin-4-ylbut-2-en-1-one
CID 49788428
(E)-1-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(4-methylpiperazin-1-yl)but-2-en-1-one
CID 49788429
7-[(2E)-4-(Dimethylamino)but-2-enoyl]-N-[(1R)-1-phenylethyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
CID 49788490

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methanone (CID 3238113) is (4-benzylpiperazin-1-yl)-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methanone is Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2ncnc(N3CCOCC3)c12.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methanone?
The InChIKey is WVNBKDCUJRTUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-17-19-21(27-11-13-30-14-12-27)24-16-25-22(19)31-20(17)23(29)28-9-7-26(8-10-28)15-18-5-3-2-4-6-18/h2-6,16H,7-15H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methanone?
(4-benzylpiperazin-1-yl)-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methanone has a molecular weight of 437.57 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 3238113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).