2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine

C21H26N4S — CID 91965038

IUPAC2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESCCCN1CCN(c2nc(Cc3ccccc3)nc3sc(C)cc23)CC1
InChIInChI=1S/C21H26N4S/c1-3-9-24-10-12-25(13-11-24)20-18-14-16(2)26-21(18)23-19(22-20)15-17-7-5-4-6-8-17/h4-8,14H,3,9-13,15H2,1-2H3
InChIKeySRQGINRZVYHFSY-UHFFFAOYSA-N
MW366.53 g/mol
LogP4.12
Rot. Bonds5

About 2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine

2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 91965038) has the molecular formula C21H26N4S and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID91965038
Molecular FormulaC21H26N4S
Molecular Weight366.53 g/mol
Exact Mass366.19
IUPAC Name2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESCCCN1CCN(c2nc(Cc3ccccc3)nc3sc(C)cc23)CC1
InChIInChI=1S/C21H26N4S/c1-3-9-24-10-12-25(13-11-24)20-18-14-16(2)26-21(18)23-19(22-20)15-17-7-5-4-6-8-17/h4-8,14H,3,9-13,15H2,1-2H3
InChIKeySRQGINRZVYHFSY-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-yl)-2-benzyl-6-methylthieno[2,3-d]pyrimidine
CID 91965066
2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 91965057
2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 91965067
2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91964873
4-(4-benzylpiperazin-1-yl)-6-methyl-2-phenylthieno[2,3-d]pyrimidine
CID 91965217
2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 91964847
2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 50946840
2-benzyl-N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965023
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine
CID 91965219
4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine
CID 50947714
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 4060720
2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 4083738

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine (CID 91965038) is 2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine is CCCN1CCN(c2nc(Cc3ccccc3)nc3sc(C)cc23)CC1.
What is the InChIKey of 2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is SRQGINRZVYHFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4S/c1-3-9-24-10-12-25(13-11-24)20-18-14-16(2)26-21(18)23-19(22-20)15-17-7-5-4-6-8-17/h4-8,14H,3,9-13,15H2,1-2H3.
What are the key properties of 2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 366.53 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 91965038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).