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

C23H29N5OS — CID 3494830

IUPAC[4-(diethylamino)-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCN(CC)c1nc(C)nc2sc(C(=O)N3CCN(c4ccccc4)CC3)c(C)c12
InChIInChI=1S/C23H29N5OS/c1-5-26(6-2)21-19-16(3)20(30-22(19)25-17(4)24-21)23(29)28-14-12-27(13-15-28)18-10-8-7-9-11-18/h7-11H,5-6,12-15H2,1-4H3
InChIKeyXJSUSTYMMAPJFP-UHFFFAOYSA-N
MW423.59 g/mol
LogP4.12
Rot. Bonds5

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

[4-(diethylamino)-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 3494830) has the molecular formula C23H29N5OS and a molecular weight of 423.59 g/mol. Its IUPAC name is [4-(diethylamino)-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(diethylamino)-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID3494830
Molecular FormulaC23H29N5OS
Molecular Weight423.59 g/mol
Exact Mass423.21
IUPAC Name[4-(diethylamino)-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCN(CC)c1nc(C)nc2sc(C(=O)N3CCN(c4ccccc4)CC3)c(C)c12
InChIInChI=1S/C23H29N5OS/c1-5-26(6-2)21-19-16(3)20(30-22(19)25-17(4)24-21)23(29)28-14-12-27(13-15-28)18-10-8-7-9-11-18/h7-11H,5-6,12-15H2,1-4H3
InChIKeyXJSUSTYMMAPJFP-UHFFFAOYSA-N
XLogP4.12
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 4534824
N,N-diethyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 22330668
(4-benzylpiperazin-1-yl)-[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 6617150
5-methyl-6-(4-phenylpiperazine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 4991094
[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 46549668
3-(2-ethoxyethyl)-5-methyl-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 4065775
[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 4154221
(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 4093269
[2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-ethylpiperazin-1-yl)methanone
CID 6615554
[2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261104
[4-(3-chlorophenyl)piperazin-1-yl]-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 33476207
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 39080600

Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-(diethylamino)-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone (CID 3494830) is [4-(diethylamino)-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(diethylamino)-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(diethylamino)-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone is CCN(CC)c1nc(C)nc2sc(C(=O)N3CCN(c4ccccc4)CC3)c(C)c12.
What is the InChIKey of [4-(diethylamino)-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is XJSUSTYMMAPJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5OS/c1-5-26(6-2)21-19-16(3)20(30-22(19)25-17(4)24-21)23(29)28-14-12-27(13-15-28)18-10-8-7-9-11-18/h7-11H,5-6,12-15H2,1-4H3.
What are the key properties of [4-(diethylamino)-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone?
[4-(diethylamino)-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 423.59 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 3494830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).