5-methyl-3-[[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole

C20H27N5OS — CID 55832637

IUPAC5-methyl-3-[[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1nc(N2CCN(Cc3cc(C)on3)CC2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C20H27N5OS/c1-13(2)9-16-12-27-20-18(16)19(21-15(4)22-20)25-7-5-24(6-8-25)11-17-10-14(3)26-23-17/h10,12-13H,5-9,11H2,1-4H3
InChIKeyZJPBFKKWQQQSHC-UHFFFAOYSA-N
MW385.54 g/mol
LogP3.82
Rot. Bonds5

About 5-methyl-3-[[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole

5-methyl-3-[[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 55832637) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is 5-methyl-3-[[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID55832637
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC Name5-methyl-3-[[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1nc(N2CCN(Cc3cc(C)on3)CC2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C20H27N5OS/c1-13(2)9-16-12-27-20-18(16)19(21-15(4)22-20)25-7-5-24(6-8-25)11-17-10-14(3)26-23-17/h10,12-13H,5-9,11H2,1-4H3
InChIKeyZJPBFKKWQQQSHC-UHFFFAOYSA-N
XLogP3.82
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-ethylpiperazin-1-yl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine
CID 55824437
2-methyl-5-(2-methylpropyl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 55824179
1-[2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 133276681
2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55832510
[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 55832933
2-methyl-5-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 55824060
5-methyl-3-[[4-(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 9024394
5-methyl-3-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 154882517
3-ethyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]azetidin-3-ol
CID 133497854
5-[(3S)-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 100758075
4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide
CID 75499749
5-methyl-3-[[4-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 55393748

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole (CID 55832637) is 5-methyl-3-[[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole is Cc1nc(N2CCN(Cc3cc(C)on3)CC2)c2c(CC(C)C)csc2n1.
What is the InChIKey of 5-methyl-3-[[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is ZJPBFKKWQQQSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c1-13(2)9-16-12-27-20-18(16)19(21-15(4)22-20)25-7-5-24(6-8-25)11-17-10-14(3)26-23-17/h10,12-13H,5-9,11H2,1-4H3.
What are the key properties of 5-methyl-3-[[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole?
5-methyl-3-[[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 385.54 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 55832637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).