3-pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole

C13H9N5OS — CID 155560417

IUPAC3-pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole
SMILESc1cnc(C2=NOC(c3cc4cncnc4s3)C2)cn1
InChIInChI=1S/C13H9N5OS/c1-2-16-10(6-14-1)9-4-11(19-18-9)12-3-8-5-15-7-17-13(8)20-12/h1-3,5-7,11H,4H2
InChIKeyKQIAIEYPZGHLEX-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.35
Rot. Bonds2

About 3-pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole

3-pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole (PubChem CID 155560417) has the molecular formula C13H9N5OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole
PubChem CID155560417
Molecular FormulaC13H9N5OS
Molecular Weight283.32 g/mol
Exact Mass283.05
IUPAC Name3-pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole
SMILESc1cnc(C2=NOC(c3cc4cncnc4s3)C2)cn1
InChIInChI=1S/C13H9N5OS/c1-2-16-10(6-14-1)9-4-11(19-18-9)12-3-8-5-15-7-17-13(8)20-12/h1-3,5-7,11H,4H2
InChIKeyKQIAIEYPZGHLEX-UHFFFAOYSA-N
XLogP2.35
TPSA73.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-Thieno[2,3-d]pyrimidin-6-yl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
CID 155542190
5-Thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 155553171
2-[(4-Ethyl-5-fluoropyrimidin-2-yl)oxymethyl]thieno[2,3-b]pyridine
CID 118311944
(S)-(3,3-difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol
CID 172542078
1-(2-Imidazo[1,2-a]pyrimidin-6-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542165
1-[6-(2-Aminopyrimidin-5-yl)thieno[2,3-b]pyridin-2-yl]-3,3-difluorocyclobutan-1-ol
CID 172542308
3-(Difluoromethyl)-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol
CID 172542315
3,3-Difluoro-1-[6-(2-methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol
CID 172542329
(R)-(3,3-difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol
CID 172542335
3,3-Difluoro-1-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)cyclobutan-1-ol
CID 172542435
(3,3-Difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol
CID 172542513
1-[3-(2-Methylimidazo[1,2-a]pyrimidin-6-yl)thieno[2,3-b]pyrazin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 178540344

Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole (CID 155560417) is 3-pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole is c1cnc(C2=NOC(c3cc4cncnc4s3)C2)cn1.
What is the InChIKey of 3-pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is KQIAIEYPZGHLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5OS/c1-2-16-10(6-14-1)9-4-11(19-18-9)12-3-8-5-15-7-17-13(8)20-12/h1-3,5-7,11H,4H2.
What are the key properties of 3-pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole?
3-pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 283.32 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 155560417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).