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

C23H29N5OS — CID 6617150

IUPAC(4-benzylpiperazin-1-yl)-[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
SMILESCCN(CC)c1ncnc2sc(C(=O)N3CCN(Cc4ccccc4)CC3)c(C)c12
InChIInChI=1S/C23H29N5OS/c1-4-27(5-2)21-19-17(3)20(30-22(19)25-16-24-21)23(29)28-13-11-26(12-14-28)15-18-9-7-6-8-10-18/h6-10,16H,4-5,11-15H2,1-3H3
InChIKeyGBUFTNYQWIIGTM-UHFFFAOYSA-N
MW423.59 g/mol
LogP3.80
Rot. Bonds6

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

(4-benzylpiperazin-1-yl)-[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone (PubChem CID 6617150) has the molecular formula C23H29N5OS and a molecular weight of 423.59 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
PubChem CID6617150
Molecular FormulaC23H29N5OS
Molecular Weight423.59 g/mol
Exact Mass423.21
IUPAC Name(4-benzylpiperazin-1-yl)-[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
SMILESCCN(CC)c1ncnc2sc(C(=O)N3CCN(Cc4ccccc4)CC3)c(C)c12
InChIInChI=1S/C23H29N5OS/c1-4-27(5-2)21-19-17(3)20(30-22(19)25-16-24-21)23(29)28-13-11-26(12-14-28)15-18-9-7-6-8-10-18/h6-10,16H,4-5,11-15H2,1-3H3
InChIKeyGBUFTNYQWIIGTM-UHFFFAOYSA-N
XLogP3.80
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 53.80
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
(4-benzylpiperazin-1-yl)-[5-methyl-4-[(2R)-2-methylpiperidin-1-yl]thieno[2,3-d]pyrimidin-6-yl]methanone
CID 92848582
4-(4-benzylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28854743
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
CID 24789937
[4-(diethylamino)-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3494830
6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 27162757
4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 4547744
(3-methyl-1-benzothiophen-2-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone
CID 166194679
(4-benzyl-1,4-diazepan-1-yl)-(4-fluoro-3-methyl-1-benzothiophen-2-yl)methanone
CID 55461375
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
CID 46344641
(3-methyl-1-benzothiophen-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55483189
1-(3-benzyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid
CID 110498083

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone (CID 6617150) is (4-benzylpiperazin-1-yl)-[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone is CCN(CC)c1ncnc2sc(C(=O)N3CCN(Cc4ccccc4)CC3)c(C)c12.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone?
The InChIKey is GBUFTNYQWIIGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5OS/c1-4-27(5-2)21-19-17(3)20(30-22(19)25-16-24-21)23(29)28-13-11-26(12-14-28)15-18-9-7-6-8-10-18/h6-10,16H,4-5,11-15H2,1-3H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone?
(4-benzylpiperazin-1-yl)-[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone has a molecular weight of 423.59 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 6617150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).