(4-benzylpiperazin-1-yl)-[5-methyl-4-[(2R)-2-methylpiperidin-1-yl]thieno[2,3-d]pyrimidin-6-yl]methanone

C25H31N5OS — CID 92848582

IUPAC(4-benzylpiperazin-1-yl)-[5-methyl-4-[(2R)-2-methylpiperidin-1-yl]thieno[2,3-d]pyrimidin-6-yl]methanone
SMILESCc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2ncnc(N3CCCC[C@H]3C)c12
InChIInChI=1S/C25H31N5OS/c1-18-8-6-7-11-30(18)23-21-19(2)22(32-24(21)27-17-26-23)25(31)29-14-12-28(13-15-29)16-20-9-4-3-5-10-20/h3-5,9-10,17-18H,6-8,11-16H2,1-2H3/t18-/m1/s1
InChIKeyXFYFNXBZZGXZTI-GOSISDBHSA-N
MW449.62 g/mol
LogP4.34
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-[5-methyl-4-[(2R)-2-methylpiperidin-1-yl]thieno[2,3-d]pyrimidin-6-yl]methanone

(4-benzylpiperazin-1-yl)-[5-methyl-4-[(2R)-2-methylpiperidin-1-yl]thieno[2,3-d]pyrimidin-6-yl]methanone (PubChem CID 92848582) has the molecular formula C25H31N5OS and a molecular weight of 449.62 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[5-methyl-4-[(2R)-2-methylpiperidin-1-yl]thieno[2,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[5-methyl-4-[(2R)-2-methylpiperidin-1-yl]thieno[2,3-d]pyrimidin-6-yl]methanone
PubChem CID92848582
Molecular FormulaC25H31N5OS
Molecular Weight449.62 g/mol
Exact Mass449.22
IUPAC Name(4-benzylpiperazin-1-yl)-[5-methyl-4-[(2R)-2-methylpiperidin-1-yl]thieno[2,3-d]pyrimidin-6-yl]methanone
SMILESCc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2ncnc(N3CCCC[C@H]3C)c12
InChIInChI=1S/C25H31N5OS/c1-18-8-6-7-11-30(18)23-21-19(2)22(32-24(21)27-17-26-23)25(31)29-14-12-28(13-15-29)16-20-9-4-3-5-10-20/h3-5,9-10,17-18H,6-8,11-16H2,1-2H3/t18-/m1/s1
InChIKeyXFYFNXBZZGXZTI-GOSISDBHSA-N
XLogP4.34
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(4-benzylpiperidin-1-yl)-[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
CID 126477024
(4-benzylpiperazin-1-yl)-[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 6617150
4-(4-benzylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28854743
N-(5-chloro-2-pyridinyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4247281
N-cyclohexyl-N,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4120035
[2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-1-yl)methanone
CID 4284174
(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 4093269
[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
(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone
CID 31043286
[5-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 5236670
N-(5-chloro-2-methoxyphenyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4116245
azepan-1-yl-[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
CID 6617227

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[5-methyl-4-[(2R)-2-methylpiperidin-1-yl]thieno[2,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[5-methyl-4-[(2R)-2-methylpiperidin-1-yl]thieno[2,3-d]pyrimidin-6-yl]methanone (CID 92848582) is (4-benzylpiperazin-1-yl)-[5-methyl-4-[(2R)-2-methylpiperidin-1-yl]thieno[2,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[5-methyl-4-[(2R)-2-methylpiperidin-1-yl]thieno[2,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[5-methyl-4-[(2R)-2-methylpiperidin-1-yl]thieno[2,3-d]pyrimidin-6-yl]methanone is Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2ncnc(N3CCCC[C@H]3C)c12.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[5-methyl-4-[(2R)-2-methylpiperidin-1-yl]thieno[2,3-d]pyrimidin-6-yl]methanone?
The InChIKey is XFYFNXBZZGXZTI-GOSISDBHSA-N. The full InChI is InChI=1S/C25H31N5OS/c1-18-8-6-7-11-30(18)23-21-19(2)22(32-24(21)27-17-26-23)25(31)29-14-12-28(13-15-29)16-20-9-4-3-5-10-20/h3-5,9-10,17-18H,6-8,11-16H2,1-2H3/t18-/m1/s1.
What are the key properties of (4-benzylpiperazin-1-yl)-[5-methyl-4-[(2R)-2-methylpiperidin-1-yl]thieno[2,3-d]pyrimidin-6-yl]methanone?
(4-benzylpiperazin-1-yl)-[5-methyl-4-[(2R)-2-methylpiperidin-1-yl]thieno[2,3-d]pyrimidin-6-yl]methanone has a molecular weight of 449.62 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[5-methyl-4-[(2R)-2-methylpiperidin-1-yl]thieno[2,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 92848582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).