4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine

C16H17BrN4S2 — CID 133407730

IUPAC4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCN(Cc4ccc(Br)s4)CC3)ncnc2s1
InChIInChI=1S/C16H17BrN4S2/c1-11-8-13-15(18-10-19-16(13)22-11)21-6-4-20(5-7-21)9-12-2-3-14(17)23-12/h2-3,8,10H,4-7,9H2,1H3
InChIKeyGZCGAKYMEIBQIB-UHFFFAOYSA-N
MW409.38 g/mol
LogP4.15
Rot. Bonds3

About 4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine

4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine (PubChem CID 133407730) has the molecular formula C16H17BrN4S2 and a molecular weight of 409.38 g/mol. Its IUPAC name is 4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
PubChem CID133407730
Molecular FormulaC16H17BrN4S2
Molecular Weight409.38 g/mol
Exact Mass408.01
IUPAC Name4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCN(Cc4ccc(Br)s4)CC3)ncnc2s1
InChIInChI=1S/C16H17BrN4S2/c1-11-8-13-15(18-10-19-16(13)22-11)21-6-4-20(5-7-21)9-12-2-3-14(17)23-12/h2-3,8,10H,4-7,9H2,1H3
InChIKeyGZCGAKYMEIBQIB-UHFFFAOYSA-N
XLogP4.15
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine with MolForge

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Related Compounds

3,5-dimethyl-4-[[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 133409218
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
6-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133407641
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine
CID 63617389
3-methyl-5-[[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 146137726
4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine;hydrochloride
CID 2971877
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
6-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133407339
4-[4-(chloromethyl)piperidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 63618427
4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487136
6-methyl-4-[4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 126814255

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine (CID 133407730) is 4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine is Cc1cc2c(N3CCN(Cc4ccc(Br)s4)CC3)ncnc2s1.
What is the InChIKey of 4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is GZCGAKYMEIBQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4S2/c1-11-8-13-15(18-10-19-16(13)22-11)21-6-4-20(5-7-21)9-12-2-3-14(17)23-12/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 409.38 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 133407730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).